Dataset

distortionless enhancement with polarization transfer (DEPT)

dataset for distortionless enhancement with polarization transfer (DEPT)

Chemical Information

molecular Image
InChI InChI=1S/C8H6N2O2/c11-7-8(12)10-6-4-2-1-3-5(6)9-7/h1-4H,(H,9,11)(H,10,12)
SMILES O=c1[nH]c2ccccc2[nH]c1=O
InChI Key ABJFBJGGLJVMAQ-UHFFFAOYSA-N
Molecular Formula C8H6N2O2
Exact Mass 162.145 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ABJFBJGGLJVMAQ-UHFFFAOYSA-N/CHMO0000596
License URL
Source https://www.chemotion-repository.net/inchikey/ABJFBJGGLJVMAQ-UHFFFAOYSA-N/CHMO0000596
Version
Author Victor Larignon
Maintainer Chemotion Repository
Language english
MetadataPublished 2021-12-25
Related Molecule
  • 1,4-dihydroquinoxaline-2,3-dione
    • Field Value
    Measurement Technique distortionless enhancement with polarization transfer
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CB0158358 ChemicalBook
    DTXSID9065946 EPA CompTox Dashboard
    50008752 BindingDB
    HQOXDO CCDC
    J48.373G Nikkaji
    CHEMBL282672 ChEMBL
    27491 PubChem
    6287-20-3 ACToR
    49838639 PubChem: Thomson Pharma
    15315452 PubChem: Thomson Pharma
    16608322 PubChem: Thomson Pharma
    711382 eMolecules
    481949 eMolecules
    ZINC000018182210 ZINC
    CB7158357 ChemicalBook
    APO55IZ9E1 FDA SRS
    MCULE-6753530638 Mcule
    20050520 NMRShiftDB
    SCHEMBL239920 SureChEMBL
    The data in this table is sourced from UniChem at EBI.