Dataset
1H nuclear magnetic resonance spectroscopy (1H NMR)
Chemical Information
| InChI | InChI=1S/C7H6BrNO/c8-7-3-1-6(2-4-7)5-9-10/h1-5,10H/b9-5+ |
|---|---|
| SMILES | O/N=C/c1ccc(cc1)Br |
| InChI Key | UIIZGAXKZZRCBN-WEVVVXLNSA-N |
| Exact Mass | 200.033 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/UIIZGAXKZZRCBN-WEVVVXLNSA-N/CHMO0000593 |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/UIIZGAXKZZRCBN-WEVVVXLNSA-N/CHMO0000593 |
| Version | |
| Author | Robert Göstl |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataPublished | 2025-11-03 |
| Related Molecule |
|
| Field | Value |
|---|---|
| Measurement Technique | CHMO:0000593 |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 1106526 | surechembl |
| 5375575 | pubchem |
| BAGWOW | CCDC |
| Molport-002-129-965 | molport |
| The data in this table is sourced from UniChem at EBI. | |