Dataset

distortionless enhancement with polarization transfer (DEPT)

dataset for distortionless enhancement with polarization transfer (DEPT)

Chemical Information

molecular Image
InChI InChI=1S/C8H12N2/c1-5-3-7(9)8(10)4-6(5)2/h3-4H,9-10H2,1-2H3
SMILES Cc1cc(N)c(cc1C)N
InChI Key XSZYBMMYQCYIPC-UHFFFAOYSA-N
Molecular Formula C8H12N2
Exact Mass 136.194 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XSZYBMMYQCYIPC-UHFFFAOYSA-N/CHMO0000596.1
License URL
Source https://www.chemotion-repository.net/inchikey/XSZYBMMYQCYIPC-UHFFFAOYSA-N/CHMO0000596.1
Version
Author Jérôme Klein
Maintainer Chemotion Repository
Language english
MetadataPublished 2021-08-04
Related Molecule
  • 4,5-dimethylbenzene-1,2-diamine
    • Field Value
    Measurement Technique distortionless enhancement with polarization transfer
    Measurement Variables
    Data-Source Molecule ID Data-Source
    76635 PubChem
    20035533 NMRShiftDB
    MCULE-2184852546 Mcule
    CB4292911 ChemicalBook
    1OJ9D3R6NH FDA SRS
    110242 Brenda
    91600 Brenda
    91601 Brenda
    537047 eMolecules
    15982891 PubChem: Thomson Pharma
    SCHEMBL121858 SureChEMBL
    3171-45-7 ACToR
    PD007745 ProbesDrugs
    150 PDBe
    DB03180 DrugBank
    CHEMBL1229654 ChEMBL
    DTXSID1062885 EPA CompTox Dashboard
    GOGWEG CCDC
    J80.656K Nikkaji
    ZINC000000153351 ZINC
    The data in this table is sourced from UniChem at EBI.