{
  "id": 94014,
  "title": "What does \"1\" mean in “1JHH”?And what is \"JHH\"?",
  "url": "/competitions/champs-scalar-coupling/discussion/94014",
  "author_name": "Milkshakespeare",
  "post_date": "2019-06-01T00:59:38.686000",
  "votes": 9,
  "comment_count": 6,
  "views": 0,
  "content": "",
  "messages": [
    {
      "id": 541661,
      "postDate": "2019-06-02T21:04:24.327Z",
      "content": "<p>i think these are \"coupling order\". you can think of it as number of bonds you need to cross as you moved from atom 1 to atom 2</p>\n\n<p><img src=\"https://storage.googleapis.com/kaggle-forum-message-attachments/541661/13360/couping_order.png\" alt=\"\"></p>",
      "rawMarkdown": "i think these are \"coupling order\". you can think of it as number of bonds you need to cross as you moved from atom 1 to atom 2\n\n![](https://storage.googleapis.com/kaggle-forum-message-attachments/541661/13360/couping_order.png)",
      "votes": 18
    },
    {
      "id": 541626,
      "postDate": "2019-06-02T19:03:25.893Z",
      "content": "<p>J</p>\n\n<p>First number is the number of bonds between atom #1 and #2. \nJ means it is j-coupling\nType #1 and type #2 are the atom types of atom #1 and #2.</p>\n\n<p>1JHC = J coupling between hydrogen (H) and carbon (C) that are 1 chemical bond apart. <strong>H</strong>-*<em>C</em>*\n2JHC = J coupling between hydrogen (H) and carbon (C) that are 2 chemical bond apart. <strong>H</strong>-C-<strong>C</strong> \n3JHN = J coupling between hydrogen (H) and carbon (C) that are 3 chemical bond apart. <strong>H</strong>-C-C-<strong>N</strong> </p>\n\n<p>J coupling is always measured with hydrogen. The first atom type in this dataset is always H.</p>",
      "rawMarkdown": "",
      "votes": 13
    },
    {
      "id": 540735,
      "postDate": "2019-06-01T00:59:38.687Z",
      "rawMarkdown": "",
      "votes": 9
    },
    {
      "id": 540740,
      "postDate": "2019-06-01T01:21:15.013Z",
      "content": "<p>It means that the two hydrogen are separated by a single bond.  However, 1JHH does not exist.  1JCH does though. </p>",
      "rawMarkdown": "It means that the two hydrogen are separated by a single bond.  However, 1JHH does not exist.  1JCH does though. ",
      "votes": 3,
      "replies": [
        {
          "id": 546360,
          "postDate": "2019-06-06T14:08:07.600Z",
          "content": "<p>Wouldn't 1JHH exist in molecular hydrogen?</p>",
          "rawMarkdown": "Wouldn't 1JHH exist in molecular hydrogen?",
          "votes": 1
        },
        {
          "id": 580026,
          "postDate": "2019-07-19T15:11:18.763Z",
          "content": "<p>Yes. It is possible with molecular hydrogen. But I think the question is while we are talking about the atoms that are part of larger molecule(Comprises of Hydrogens, Carbon and Nitrogen as given in train.csv), 1JHH seems to be not existing.  H-H bonding is the only way it can exist in 1JHH. In that case it can be never be part of a larger molecule. </p>",
          "rawMarkdown": "Yes. It is possible with molecular hydrogen. But I think the question is while we are talking about the atoms that are part of larger molecule(Comprises of Hydrogens, Carbon and Nitrogen as given in train.csv), 1JHH seems to be not existing.  H-H bonding is the only way it can exist in 1JHH. In that case it can be never be part of a larger molecule. "
        }
      ]
    },
    {
      "id": 541575,
      "postDate": "2019-06-02T17:01:09.697Z",
      "rawMarkdown": "",
      "isDeleted": true
    }
  ],
  "comments": [
    {
      "id": 541661,
      "author_name": "hengck23",
      "author_url": "",
      "post_date": "2019-06-02T21:04:24.327000",
      "content": "<p>i think these are \"coupling order\". you can think of it as number of bonds you need to cross as you moved from atom 1 to atom 2</p>\n\n<p><img src=\"https://storage.googleapis.com/kaggle-forum-message-attachments/541661/13360/couping_order.png\" alt=\"\"></p>",
      "votes": 18,
      "replies": []
    },
    {
      "id": 541626,
      "author_name": "Jo",
      "author_url": "",
      "post_date": "2019-06-02T19:03:25.893000",
      "content": "<p>J</p>\n\n<p>First number is the number of bonds between atom #1 and #2. \nJ means it is j-coupling\nType #1 and type #2 are the atom types of atom #1 and #2.</p>\n\n<p>1JHC = J coupling between hydrogen (H) and carbon (C) that are 1 chemical bond apart. <strong>H</strong>-*<em>C</em>*\n2JHC = J coupling between hydrogen (H) and carbon (C) that are 2 chemical bond apart. <strong>H</strong>-C-<strong>C</strong> \n3JHN = J coupling between hydrogen (H) and carbon (C) that are 3 chemical bond apart. <strong>H</strong>-C-C-<strong>N</strong> </p>\n\n<p>J coupling is always measured with hydrogen. The first atom type in this dataset is always H.</p>",
      "votes": 13,
      "replies": []
    },
    {
      "id": 540740,
      "author_name": "Kyle Peters",
      "author_url": "",
      "post_date": "2019-06-01T01:21:15.013000",
      "content": "<p>It means that the two hydrogen are separated by a single bond.  However, 1JHH does not exist.  1JCH does though. </p>",
      "votes": 3,
      "replies": [
        {
          "id": 546360,
          "author_name": "RNA",
          "author_url": "",
          "post_date": "2019-06-06T14:08:07.600000",
          "content": "<p>Wouldn't 1JHH exist in molecular hydrogen?</p>",
          "votes": 1,
          "replies": []
        },
        {
          "id": 580026,
          "author_name": "Deepak Thanam",
          "author_url": "",
          "post_date": "2019-07-19T15:11:18.763000",
          "content": "<p>Yes. It is possible with molecular hydrogen. But I think the question is while we are talking about the atoms that are part of larger molecule(Comprises of Hydrogens, Carbon and Nitrogen as given in train.csv), 1JHH seems to be not existing.  H-H bonding is the only way it can exist in 1JHH. In that case it can be never be part of a larger molecule. </p>",
          "votes": 0,
          "replies": []
        }
      ]
    },
    {
      "id": 541575,
      "author_name": "",
      "author_url": "",
      "post_date": "2019-06-02T17:01:09.697000",
      "content": "",
      "votes": 0,
      "replies": []
    }
  ],
  "raw_markdown_by_id": {
    "541661": "i think these are \"coupling order\". you can think of it as number of bonds you need to cross as you moved from atom 1 to atom 2\n\n![](https://storage.googleapis.com/kaggle-forum-message-attachments/541661/13360/couping_order.png)",
    "541626": "",
    "540735": "",
    "540740": "It means that the two hydrogen are separated by a single bond.  However, 1JHH does not exist.  1JCH does though. ",
    "541575": ""
  }
}