Dataset
1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
Chemical Info
InChI | InChI=1S/C17H16N4/c1-11(2)18-16-13-8-4-3-7-12(13)15-17(20-16)21-10-6-5-9-14(21)19-15/h3-11H,1-2H3,(H,18,20) |
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SMILES | CC(Nc1nc2c(c3c1cccc3)nc1n2cccc1)C |
InChI Key | NNQKMYYBCPGPGY-UHFFFAOYSA-N |
Molecular Formula | C17H16N4 |
Exact Mass | 276.336 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/NNQKMYYBCPGPGY-UHFFFAOYSA-N/CHMO0001146 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/NNQKMYYBCPGPGY-UHFFFAOYSA-N/CHMO0001146 |
Version | |
Author | Mareen Stahlberger |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-07T06:23:56.695172 |
MetadataModified | 2024-09-07T22:01:58.599689 |
MetadataPublished | 2022-04-16 |
Field | Value |
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Measurement Technique | 1H–13C heteronuclear single quantum coherence |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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163197174 | PubChem |
The data in this table is sourced from UniChem at EBI. |