Dataset
distortionless enhancement with polarization transfer (DEPT)
Chemical Information
| InChI | InChI=1S/C9H6N2O/c12-6-7-5-10-8-3-1-2-4-9(8)11-7/h1-6H |
|---|---|
| SMILES | O=Cc1cnc2c(n1)cccc2 |
| InChI Key | UJEHWLFUEQHEEZ-UHFFFAOYSA-N |
| Molecular Formula | C9H6N2O |
| Exact Mass | 158.157 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/UJEHWLFUEQHEEZ-UHFFFAOYSA-N/CHMO0000596 |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/UJEHWLFUEQHEEZ-UHFFFAOYSA-N/CHMO0000596 |
| Version | |
| Author | Jérôme Klein |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataPublished | 2021-12-09 |
| Related Molecule |
|
| Field | Value |
|---|---|
| Measurement Technique | distortionless enhancement with polarization transfer |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 1593-08-4 | ACToR |
| CB5740969 | ChemicalBook |
| DTXSID50344042 | EPA CompTox Dashboard |
| SCHEMBL97699 | SureChEMBL |
| 16544937 | PubChem: Thomson Pharma |
| 724662 | eMolecules |
| J1.878.872A | Nikkaji |
| VOBMOR | CCDC |
| ZINC000000241385 | ZINC |
| MCULE-2987536076 | Mcule |
| 594088 | PubChem |
| The data in this table is sourced from UniChem at EBI. | |