Dataset
1H--1H correlation spectroscopy (1H-1H COSY)
Chemical Info
InChI | InChI=1S/C5H3BrO2S/c6-4-2-1-3(9-4)5(7)8/h1-2H,(H,7,8) |
---|---|
SMILES | OC(=O)c1ccc(s1)Br |
InChI Key | COWZPSUDTMGBAT-UHFFFAOYSA-N |
Molecular Formula | C5H3BrO2S |
Exact Mass | 207.045 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/COWZPSUDTMGBAT-UHFFFAOYSA-N/CHMO0001150 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/COWZPSUDTMGBAT-UHFFFAOYSA-N/CHMO0001150 |
Version | |
Author | Grace Hunt |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T04:14:17.876007 |
MetadataModified | 2024-09-08T04:14:17.876012 |
MetadataPublished | 2024-07-16 |
Field | Value |
---|---|
Measurement Technique | 1H–1H correlation spectroscopy |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
349115 | PubChem |
MCULE-4848894693 | Mcule |
511822 | eMolecules |
15018110 | PubChem: Thomson Pharma |
7311-63-9 | ACToR |
SCHEMBL71972 | SureChEMBL |
259391 | Brenda |
CB6284774 | ChemicalBook |
50467717 | BindingDB |
CHEMBL4291755 | ChEMBL |
J101.732B | Nikkaji |
DTXSID90325113 | EPA CompTox Dashboard |
CAWKAP | CCDC |
ZINC000000042559 | ZINC |
The data in this table is sourced from UniChem at EBI. |