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/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
MetadataCreated 2024-09-08T04:27:48.956823
MetadataModified 2024-09-08T04:27:48.956828
MetadataPublished 2024-08-08
Field Value
Measurement Technique 1H–1H correlation spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
8481 PubChem
MCULE-3025114875 Mcule
474350 eMolecules
15936852 PubChem: Thomson Pharma
121-60-8 ACToR
SCHEMBL58191 SureChEMBL
LIX4M9AIVM FDA SRS
PD058124 ProbesDrugs
ZINC000059245654 ZINC
CB4452614 ChemicalBook
DTXSID8026981 EPA CompTox Dashboard
DB12337 DrugBank
J5.341D Nikkaji
20000182 NMRShiftDB
CHEMBL3185390 ChEMBL
The data in this table is sourced from UniChem at EBI.