Dataset
mass spectrometry (MS)
Chemical Info
InChI | InChI=1S/C8H6Br2O3/c1-3(11)6-7(12)4(9)2-5(10)8(6)13/h2,12-13H,1H3 |
---|---|
SMILES | CC(=O)c1c(O)c(Br)cc(c1O)Br |
InChI Key | GHPWLLSLLWHDPT-UHFFFAOYSA-N |
Molecular Formula | C8H6Br2O3 |
Exact Mass | 309.939 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/GHPWLLSLLWHDPT-UHFFFAOYSA-N/CHMO0000470 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/GHPWLLSLLWHDPT-UHFFFAOYSA-N/CHMO0000470 |
Version | |
Author | Simone Gräßle |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T04:36:10.561659 |
MetadataModified | 2024-09-08T04:36:10.561666 |
MetadataPublished | 2024-08-30 |
Field | Value |
---|---|
Measurement Technique | mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
5314959 | PubChem |
CHEMBL3274348 | ChEMBL |
The data in this table is sourced from UniChem at EBI. |