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/C6H2Cl2O2/c7-3-1-5(9)4(8)2-6(3)10/h1-2H
SMILES ClC1=CC(=O)C(=CC1=O)Cl
InChI Key LNXVNZRYYHFMEY-UHFFFAOYSA-N
Molecular Formula C6H2Cl2O2
Exact Mass 176.985 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LNXVNZRYYHFMEY-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/LNXVNZRYYHFMEY-UHFFFAOYSA-N/CHMO0001150
Version
Author Alex Johnson
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T04:22:30.004379
MetadataModified 2024-09-08T04:22:30.004385
MetadataPublished 2024-08-07
Field Value
Measurement Technique 1H–1H correlation spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
CB8169884 ChemicalBook
69365 Brenda
107995 Brenda
204884 Brenda
ZINC000000135776 ZINC
DTXSID9060657 EPA CompTox Dashboard
BZQDCL CCDC
J65.481G Nikkaji
CHEMBL3311439 ChEMBL
10015939 NMRShiftDB
MCULE-6719499202 Mcule
SCHEMBL57290 SureChEMBL
12011 PubChem
14772704 PubChem: Thomson Pharma
16130454 PubChem: Thomson Pharma
615-93-0 ACToR
PD138965 ProbesDrugs
507553 eMolecules
The data in this table is sourced from UniChem at EBI.