Dataset
heteronuclear single quantum coherence (HSQC)
Chemical Info
| InChI | InChI=1S/C10H11BrO3/c1-13-9-4-3-7(8(12)6-11)5-10(9)14-2/h3-5H,6H2,1-2H3 |
|---|---|
| SMILES | BrCC(=O)c1ccc(c(c1)OC)OC |
| InChI Key | NUAIPKMBWNVQIM-UHFFFAOYSA-N |
| Exact Mass | 259.097 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/NUAIPKMBWNVQIM-UHFFFAOYSA-N/CHMO0000604 |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/NUAIPKMBWNVQIM-UHFFFAOYSA-N/CHMO0000604 |
| Version | |
| Author | Simone Gräßle |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataCreated | 2024-09-08T04:30:13.275836 |
| MetadataModified | 2024-09-23T09:26:19.336119 |
| MetadataPublished | 2024-08-15 |
| Related Molecule |