Dataset

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

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

Chemical Information

molecular Image
InChI InChI=1S/C8H8ClNO3S/c1-6(11)10-7-2-4-8(5-3-7)14(9,12)13/h2-5H,1H3,(H,10,11)
SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)Cl
InChI Key GRDXCFKBQWDAJH-UHFFFAOYSA-N
Molecular Formula C8H8ClNO3S
Exact Mass 233.672 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GRDXCFKBQWDAJH-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/GRDXCFKBQWDAJH-UHFFFAOYSA-N/CHMO0001150
Version
Author Alex Johnson
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-08-08
Related Molecule
  • 4-acetamidobenzenesulfonyl chloride
    • Field Value
    Measurement Technique 1H–1H correlation spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB12337 drugbank
    CHEMBL3185390 chembl
    58191 surechembl
    8481 pubchem
    LIX4M9AIVM fdasrs
    PD058124 probes_and_drugs
    DTXSID8026981 comptox
    Molport-001-768-953 molport
    The data in this table is sourced from UniChem at EBI.