Dataset
distortionless enhancement with polarization transfer (DEPT)
Chemical Info
InChI | InChI=1S/C7H6N4O2/c8-10-9-5-6-3-1-2-4-7(6)11(12)13/h1-4H,5H2 |
---|---|
SMILES | N#[N+][N-]Cc1ccccc1[N+](=O)[O-] |
InChI Key | RWJRBVYNMRKGAG-UHFFFAOYSA-N |
Molecular Formula | C7H6N4O2 |
Exact Mass | 178.148 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/RWJRBVYNMRKGAG-UHFFFAOYSA-N/CHMO0000596 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/RWJRBVYNMRKGAG-UHFFFAOYSA-N/CHMO0000596 |
Version | |
Author | Helena Šimek |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-07T02:49:04.456684 |
MetadataModified | 2024-09-07T17:29:31.788111 |
MetadataPublished | 2020-04-07 |
Field | Value |
---|---|
Measurement Technique | distortionless enhancement with polarization transfer |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
DTXSID30541234 | EPA CompTox Dashboard |
SCHEMBL3022290 | SureChEMBL |
13451744 | PubChem |
The data in this table is sourced from UniChem at EBI. |