Dataset

correlation spectroscopy (COSY)

dataset for correlation spectroscopy (COSY)

Chemical Information

molecular Image
InChI InChI=1S/C7H8ClN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2
SMILES NCc1ccc(cc1)Cl
InChI Key YMVFJGSXZNNUDW-UHFFFAOYSA-N
Molecular Formula C7H8ClN
Exact Mass 141.598 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YMVFJGSXZNNUDW-UHFFFAOYSA-N/CHMO0000599.1
License URL
Source https://www.chemotion-repository.net/inchikey/YMVFJGSXZNNUDW-UHFFFAOYSA-N/CHMO0000599.1
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-10-10
Related Molecule
  • (4-chlorophenyl)methanamine
    • Field Value
    Measurement Technique correlation spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    66036 PubChem
    15437286 PubChem: Thomson Pharma
    104-86-9 ACToR
    490712 eMolecules
    SCHEMBL107396 SureChEMBL
    20032751 NMRShiftDB
    MCULE-4214697148 Mcule
    10325 Brenda
    CB1270950 ChemicalBook
    C2B PDBe
    DTXSID7059307 EPA CompTox Dashboard
    ZINC000000157594 ZINC
    50325562 BindingDB
    242957 Brenda
    WIQNIV CCDC
    J5.181K Nikkaji
    CHEMBL13218 ChEMBL
    The data in this table is sourced from UniChem at EBI.