Dataset
![molecular Image]()
distortionless enhancement with polarization transfer (DEPT)
Chemical Info
| InChI | InChI=1S/C7H5BrO/c8-7-3-1-2-6(4-7)5-9/h1-5H |
|---|---|
| SMILES | O=Cc1cccc(c1)Br |
| InChI Key | SUISZCALMBHJQX-UHFFFAOYSA-N |
| Molecular Formula | C7H5BrO |
| Exact Mass | 185.018 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/SUISZCALMBHJQX-UHFFFAOYSA-N/CHMO0000596 |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/SUISZCALMBHJQX-UHFFFAOYSA-N/CHMO0000596 |
| Version | |
| Author | Sylvia Vanderheiden-Schroen |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataCreated | 2024-09-08T03:57:10.263872 |
| MetadataModified | 2024-09-08T03:57:10.263876 |
| MetadataPublished | 2024-07-01 |
| Field | Value |
|---|---|
| Measurement Technique | distortionless enhancement with polarization transfer |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| CHEMBL1568619 | ChEMBL |
| ZINC000002504374 | ZINC |
| DTXSID4027521 | EPA CompTox Dashboard |
| J30.726B | Nikkaji |
| W0ARD2ZJ82 | FDA SRS |
| MCULE-2091851410 | Mcule |
| 76583 | PubChem |
| 10018747 | NMRShiftDB |
| SCHEMBL4290 | SureChEMBL |
| 15340052 | PubChem: Thomson Pharma |
| 3132-99-8 | ACToR |
| 32279 | Brenda |
| 124427 | Brenda |
| CB9315482 | ChemicalBook |
| 16606 | Brenda |
| 55794 | Brenda |
| 484507 | eMolecules |
| The data in this table is sourced from UniChem at EBI. | |