Dataset
![molecular Image]()
13C nuclear magnetic resonance spectroscopy (13C NMR)
Chemical Info
| InChI | InChI=1S/C6H8N2/c7-5-6-1-3-8-4-2-6/h1-4H,5,7H2 |
|---|---|
| SMILES | NCc1ccncc1 |
| InChI Key | TXQWFIVRZNOPCK-UHFFFAOYSA-N |
| Molecular Formula | C6H8N2 |
| Exact Mass | 108.141 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/TXQWFIVRZNOPCK-UHFFFAOYSA-N/CHMO0000595 |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/TXQWFIVRZNOPCK-UHFFFAOYSA-N/CHMO0000595 |
| Version | |
| Author | Alex Johnson |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataCreated | 2024-09-08T04:23:54.540921 |
| MetadataModified | 2024-09-08T04:23:54.540927 |
| MetadataPublished | 2024-08-07 |
| Field | Value |
|---|---|
| Measurement Technique | 13C nuclear magnetic resonance spectroscopy |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| CHEMBL1188378 | ChEMBL |
| DTXSID0063153 | EPA CompTox Dashboard |
| J58.007D | Nikkaji |
| ZINC000000158598 | ZINC |
| 50232687 | BindingDB |
| NNW | PDBe |
| 77317 | PubChem |
| 14793688 | PubChem: Thomson Pharma |
| 3731-53-1 | ACToR |
| SCHEMBL41000 | SureChEMBL |
| 530964 | eMolecules |
| 6307 | Brenda |
| 220442 | Brenda |
| CB6127561 | ChemicalBook |
| 110247 | Brenda |
| 20027610 | NMRShiftDB |
| MCULE-8418049817 | Mcule |
| The data in this table is sourced from UniChem at EBI. | |