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
474350 eMolecules
DTXSID8026981 EPA CompTox Dashboard
ZINC000059245654 ZINC
DB12337 DrugBank
CB4452614 ChemicalBook
MCULE-3025114875 Mcule
20000182 NMRShiftDB
PD058124 ProbesDrugs
LIX4M9AIVM FDA SRS
121-60-8 ACToR
SCHEMBL58191 SureChEMBL
15936852 PubChem: Thomson Pharma
8481 PubChem
J5.341D Nikkaji
CHEMBL3185390 ChEMBL
The data in this table is sourced from UniChem at EBI.