Dataset
![molecular Image]()
13C nuclear magnetic resonance spectroscopy (13C NMR)
Chemical Info
| InChI | InChI=1S/C6H8N2/c1-7-6-4-2-3-5-8-6/h2-5H,1H3,(H,7,8) |
|---|---|
| SMILES | CNc1ccccn1 |
| InChI Key | SVEUVITYHIHZQE-UHFFFAOYSA-N |
| Molecular Formula | C6H8N2 |
| Exact Mass | 108.141 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/SVEUVITYHIHZQE-UHFFFAOYSA-N/CHMO0000595 |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/SVEUVITYHIHZQE-UHFFFAOYSA-N/CHMO0000595 |
| Version | |
| Author | Fabian Schönle |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataCreated | 2025-01-29T10:18:44.732501 |
| MetadataModified | 2025-01-29T16:11:53.145217 |
| MetadataPublished | 2024-11-04 |
| Field | Value |
|---|---|
| Measurement Technique | 13C nuclear magnetic resonance spectroscopy |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 20727 | PubChem |
| MCULE-5967125973 | Mcule |
| VONNET | CCDC |
| J51.330J | Nikkaji |
| 20027710 | NMRShiftDB |
| DTXSID60196670 | EPA CompTox Dashboard |
| ZINC000000166987 | ZINC |
| CB9352100 | ChemicalBook |
| SCHEMBL24122390 | SureChEMBL |
| SCHEMBL22421 | SureChEMBL |
| 488509 | eMolecules |
| 15910265 | PubChem: Thomson Pharma |
| 4597-87-9 | ACToR |
| The data in this table is sourced from UniChem at EBI. | |