Dataset

distortionless enhancement with polarization transfer (DEPT)

dataset for distortionless enhancement with polarization transfer (DEPT)

Chemical Information

molecular Image
InChI InChI=1S/C9H7ClN2/c1-6-9(10)12-8-5-3-2-4-7(8)11-6/h2-5H,1H3
SMILES Cc1nc2ccccc2nc1Cl
InChI Key PXDLUYLWPJMGJA-UHFFFAOYSA-N
Molecular Formula C9H7ClN2
Exact Mass 178.618 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PXDLUYLWPJMGJA-UHFFFAOYSA-N/CHMO0000596.1
License URL
Source https://www.chemotion-repository.net/inchikey/PXDLUYLWPJMGJA-UHFFFAOYSA-N/CHMO0000596.1
Version
Author Victor Larignon
Maintainer Chemotion Repository
Language english
MetadataPublished 2021-12-25
Related Molecule
  • 2-chloro-3-methylquinoxaline
    • Field Value
    Measurement Technique distortionless enhancement with polarization transfer
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CIPWOO CCDC
    J1.430.571H Nikkaji
    MCULE-5627912110 Mcule
    236276 PubChem
    839833 eMolecules
    15536743 PubChem: Thomson Pharma
    SCHEMBL1670942 SureChEMBL
    32601-86-8 ACToR
    DTXSID50284712 EPA CompTox Dashboard
    CB8491147 ChemicalBook
    ZINC000000331724 ZINC
    The data in this table is sourced from UniChem at EBI.