Dataset

distortionless enhancement with polarization transfer (DEPT)

dataset for distortionless enhancement with polarization transfer (DEPT)

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/CHMO0000596
License URL
Source https://www.chemotion-repository.net/inchikey/COTHZSSUQJRBQH-UHFFFAOYSA-N/CHMO0000596
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 distortionless enhancement with polarization transfer
    Measurement Variables
    Title : SG-CCP-2552

    Date : 20231212

    Start time : 22.11 h

    Label : CCP-2402

    ID : 190109

    Solvent : chloroform-D1 (CDCl3)

    Temperature : 300.0 K K

    Puls programme : deptsp90

    Number of scans : 256

    Instrument : spect

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