Dataset
distortionless enhancement with polarization transfer (DEPT)
Chemical Info
InChI | InChI=1S/C8H4BrNO2/c9-4-1-2-5-6(3-4)8(12)10-7(5)11/h1-3H,(H,10,11,12) |
---|---|
SMILES | Brc1ccc2c(c1)C(=O)NC2=O |
InChI Key | GNYICZVGHULCHE-UHFFFAOYSA-N |
Molecular Formula | C8H4BrNO2 |
Exact Mass | 226.027 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/GNYICZVGHULCHE-UHFFFAOYSA-N/CHMO0000596.1 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/GNYICZVGHULCHE-UHFFFAOYSA-N/CHMO0000596.1 |
Version | |
Author | Jana Barylko |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2025-05-03T02:10:45.899701 |
MetadataModified | 2025-05-04T02:10:27.929448 |
MetadataPublished | 2025-04-29 |
Related Molecule |
Field | Value |
---|---|
Measurement Technique | distortionless enhancement with polarization transfer |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
236018 | PubChem |
MCULE-6804383479 | Mcule |
636718 | eMolecules |
17435563 | PubChem: Thomson Pharma |
6941-75-9 | ACToR |
SCHEMBL383829 | SureChEMBL |
CB6120502 | ChemicalBook |
J2.636.978I | Nikkaji |
DTXSID90284615 | EPA CompTox Dashboard |
ZINC000000406661 | ZINC |
The data in this table is sourced from UniChem at EBI. |