Dataset
heteronuclear single quantum coherence (HSQC)
Chemical Info
| InChI | InChI=1S/C12H11BrO5/c1-7(14)17-9-3-4-10(11(16)6-13)12(5-9)18-8(2)15/h3-5H,6H2,1-2H3 |
|---|---|
| SMILES | BrCC(=O)c1ccc(cc1OC(=O)C)OC(=O)C |
| InChI Key | CHFUQFPYYGWTKR-UHFFFAOYSA-N |
| Exact Mass | 315.117 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/CHFUQFPYYGWTKR-UHFFFAOYSA-N/CHMO0000604 |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/CHFUQFPYYGWTKR-UHFFFAOYSA-N/CHMO0000604 |
| Version | |
| Author | Simone Gräßle |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataCreated | 2024-09-08T04:35:05.557596 |
| MetadataModified | 2024-09-23T09:26:51.584999 |
| MetadataPublished | 2024-08-30 |
| Related Molecule |