Dataset
distortionless enhancement with polarization transfer (DEPT)
Chemical Info
InChI | InChI=1S/C9H10BrN/c10-9-3-1-2-7-4-5-11-6-8(7)9/h1-3,11H,4-6H2 |
---|---|
SMILES | Brc1cccc2c1CNCC2 |
InChI Key | KHWGHUZYXQPIKA-UHFFFAOYSA-N |
Molecular Formula | C9H10BrN |
Exact Mass | 212.086 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/KHWGHUZYXQPIKA-UHFFFAOYSA-N/CHMO0000596 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/KHWGHUZYXQPIKA-UHFFFAOYSA-N/CHMO0000596 |
Version | |
Author | Jana Alpin |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2025-02-04T13:26:00.003750 |
MetadataModified | 2025-02-04T13:26:00.003756 |
MetadataPublished | 2025-01-08 |
Related Molecule |
Field | Value |
---|---|
Measurement Technique | distortionless enhancement with polarization transfer |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
ZINC000038540946 | ZINC |
SCHEMBL3177381 | SureChEMBL |
32233889 | eMolecules |
12630420 | PubChem |
CB8547345 | ChemicalBook |
DTXSID90504986 | EPA CompTox Dashboard |
The data in this table is sourced from UniChem at EBI. |