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/C7H4Cl2O/c8-6-2-1-5(4-10)3-7(6)9/h1-4H
SMILES O=Cc1ccc(c(c1)Cl)Cl
InChI Key ZWUSBSHBFFPRNE-UHFFFAOYSA-N
Molecular Formula C7H4Cl2O
Exact Mass 175.012 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZWUSBSHBFFPRNE-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/ZWUSBSHBFFPRNE-UHFFFAOYSA-N/CHMO0001150
Version
Author Sylvia Vanderheiden-Schroen
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T04:02:56.320155
MetadataModified 2024-09-08T04:02:56.320160
MetadataPublished 2024-07-05
Related Molecule
Field Value
Measurement Technique 1H–1H correlation spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
128276 Brenda
30096610 NMRShiftDB
MCULE-2921750767 Mcule
500421 eMolecules
15114545 PubChem: Thomson Pharma
6287-38-3 ACToR
SCHEMBL48577 SureChEMBL
22710 PubChem
CHEMBL1528012 ChEMBL
CB8100944 ChemicalBook
DTXSID0024971 EPA CompTox Dashboard
ZINC000000151791 ZINC
I6Z632WSJ5 FDA SRS
AZIBER CCDC
50461952 BindingDB
J30.721A Nikkaji
The data in this table is sourced from UniChem at EBI.