Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

molecular Image
InChI InChI=1S/C6H7ClN2/c1-4-2-5(7)6(8)9-3-4/h2-3H,1H3,(H2,8,9)
SMILES Cc1cnc(c(c1)Cl)N
InChI Key COTHZSSUQJRBQH-UHFFFAOYSA-N
Molecular Formula C6H7ClN2
Exact Mass 142.586 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/COTHZSSUQJRBQH-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/COTHZSSUQJRBQH-UHFFFAOYSA-N/CHMO0000593
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-12-13
Related Molecule
  • 3-chloro-5-methylpyridin-2-amine
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    title : SG-CCP-2552

    date : 20231211

    starting time : 18.07 h

    label : CCP-2402

    id : 190109

    Solvent : DMSO

    temperature : 300.0 K

    PULPROG : zg30

    number of scans : 16 scans

    instrument : spect

    title : SG-CCP-2552

    date : 20231211

    starting time : 18.20 h

    label : CCP-2402

    id : 190109

    Solvent : chloroform-D1 (CDCl3)

    temperature : 300.0 K

    PULPROG : zg30

    number of scans : 16 scans

    instrument : spect

    Data-Source Molecule ID Data-Source
    118541 surechembl
    12251011 pubchem
    N49C844RUD fdasrs
    DTXSID40482442 comptox
    Molport-002-041-544 molport
    The data in this table is sourced from UniChem at EBI.