Dataset
distortionless enhancement with polarization transfer (DEPT)
Chemical Information
| InChI | InChI=1S/C8H6N2O/c11-8-5-9-6-3-1-2-4-7(6)10-8/h1-5H,(H,10,11) |
|---|---|
| SMILES | O=c1cnc2c([nH]1)cccc2 |
| InChI Key | FFRYUAVNPBUEIC-UHFFFAOYSA-N |
| Molecular Formula | C8H6N2O |
| Exact Mass | 146.146 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/FFRYUAVNPBUEIC-UHFFFAOYSA-N/CHMO0000596.3 |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/FFRYUAVNPBUEIC-UHFFFAOYSA-N/CHMO0000596.3 |
| Version | |
| Author | Victor Larignon |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataPublished | 2021-05-13 |
| Related Molecule |
|
| Field | Value |
|---|---|
| Measurement Technique | distortionless enhancement with polarization transfer |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| CHEBI:38890 | chebi |
| 29396007 | surechembl |
| 29559272 | surechembl |
| 37862 | surechembl |
| 42594 | surechembl |
| 14526 | pubchem |
| PD210525 | probes_and_drugs |
| HQOXAL | CCDC |
| 135345 | brenda |
| 275367 | brenda |
| 43192 | brenda |
| HMDB0245168 | hmdb |
| Molport-000-678-744 | molport |
| Molport-001-759-903 | molport |
| The data in this table is sourced from UniChem at EBI. | |