Dataset
heteronuclear single quantum coherence (HSQC)
Chemical Info
| InChI | InChI=1S/C8H7BrO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6H2 |
|---|---|
| SMILES | BrCC(=O)c1ccccc1 |
| InChI Key | LIGACIXOYTUXAW-UHFFFAOYSA-N |
| Molecular Formula | C8H7BrO |
| Exact Mass | 199.045 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/LIGACIXOYTUXAW-UHFFFAOYSA-N/CHMO0000604 |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/LIGACIXOYTUXAW-UHFFFAOYSA-N/CHMO0000604 |
| Version | |
| Author | Simone Gräßle |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataCreated | 2025-02-04T13:27:49.086134 |
| MetadataModified | 2025-02-04T13:27:49.086142 |
| MetadataPublished | 2025-01-08 |
| Related Molecule |