Dataset
1H nuclear magnetic resonance spectroscopy (1H NMR)
Chemical Info
InChI | InChI=1S/C12H18IN3/c1-9(2)16(10(3)4)15-14-12-7-5-11(13)6-8-12/h5-10H,1-4H3/b15-14+ |
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SMILES | CC(N(C(C)C)/N=N/c1ccc(cc1)I)C |
InChI Key | TZFWPFBBUPQHOJ-CCEZHUSRSA-N |
Molecular Formula | C12H18IN3 |
Exact Mass | 331.196 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/TZFWPFBBUPQHOJ-CCEZHUSRSA-N/NMR/1H/CDCL3/400 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/TZFWPFBBUPQHOJ-CCEZHUSRSA-N/NMR/1H/CDCL3/400 |
Version | |
Author | Andreas Hafner |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-06T22:35:45.023090 |
MetadataModified | 2024-09-07T11:55:52.730425 |
MetadataPublished | 2014-05-27 |
Field | Value |
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Measurement Technique | 1H nuclear magnetic resonance spectroscopy |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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J3.081.923C | Nikkaji |
The data in this table is sourced from UniChem at EBI. |