Dataset
13C nuclear magnetic resonance spectroscopy (13C NMR)
Chemical Info
| InChI | InChI=1S/C8H6ClN3/c9-7-8(10)12-6-4-2-1-3-5(6)11-7/h1-4H,(H2,10,12) |
|---|---|
| SMILES | Nc1nc2ccccc2nc1Cl |
| InChI Key | NOFJFBHOKPHILH-UHFFFAOYSA-N |
| Molecular Formula | C8H6ClN3 |
| Exact Mass | 179.606 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/NOFJFBHOKPHILH-UHFFFAOYSA-N/CHMO0000595.1 |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/NOFJFBHOKPHILH-UHFFFAOYSA-N/CHMO0000595.1 |
| Version | |
| Author | Laura Holzhauer |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataCreated | 2024-09-07T05:15:35.624388 |
| MetadataModified | 2024-09-07T20:41:42.573275 |
| MetadataPublished | 2021-11-12 |
| Related Molecule |