Dataset

distortionless enhancement with polarization transfer (DEPT)

dataset for distortionless enhancement with polarization transfer (DEPT)

Chemical Information

molecular Image
InChI InChI=1S/C8H5NO/c9-5-7-3-1-2-4-8(7)6-10/h1-4,6H
SMILES N#Cc1ccccc1C=O
InChI Key QVTPWONEVZJCCS-UHFFFAOYSA-N
Molecular Formula C8H5NO
Exact Mass 131.131 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QVTPWONEVZJCCS-UHFFFAOYSA-N/CHMO0000596
License URL
Source https://www.chemotion-repository.net/inchikey/QVTPWONEVZJCCS-UHFFFAOYSA-N/CHMO0000596
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-04-24
Related Molecule
  • 2-formylbenzonitrile
    • Field Value
    Measurement Technique distortionless enhancement with polarization transfer
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CB3101906 ChemicalBook
    20052484 NMRShiftDB
    163895 Brenda
    500341 eMolecules
    7468-67-9 ACToR
    16153872 PubChem: Thomson Pharma
    SCHEMBL98563 SureChEMBL
    ZINC000001499726 ZINC
    DTXSID80225653 EPA CompTox Dashboard
    GEHRIV CCDC
    CHEMBL4469993 ChEMBL
    J14.739G Nikkaji
    251905 Brenda
    MCULE-5787370913 Mcule
    101209 PubChem
    The data in this table is sourced from UniChem at EBI.