Dataset

1H--1H correlation spectroscopy (1H-1H COSY)

dataset for 1H--1H correlation spectroscopy (1H-1H COSY)\n\n

Chemical Info

molecular Image
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
Related Molecule
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.