Dataset
heteronuclear multiple bond coherence (HMBC)
Chemical Info
| InChI | InChI=1S/C8H7BrO/c1-6(10)7-3-2-4-8(9)5-7/h2-5H,1H3 |
|---|---|
| SMILES | Brc1cccc(c1)C(=O)C |
| InChI Key | JYAQYXOVOHJRCS-UHFFFAOYSA-N |
| Molecular Formula | C8H7BrO |
| Exact Mass | 199.045 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/JYAQYXOVOHJRCS-UHFFFAOYSA-N/CHMO0000601 |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/JYAQYXOVOHJRCS-UHFFFAOYSA-N/CHMO0000601 |
| Version | |
| Author | Simone Gräßle |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataCreated | 2025-01-29T10:02:01.769226 |
| MetadataModified | 2025-02-04T11:38:07.950368 |
| MetadataPublished | 2024-09-12 |
| Related Molecule |