Dataset

heteronuclear single quantum coherence (HSQC)

dataset for heteronuclear single quantum coherence (HSQC)

Chemical Information

molecular Image
InChI InChI=1S/C13H12N2/c14-15-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,14H2
SMILES NN=C(c1ccccc1)c1ccccc1
InChI Key QYCSNMDOZNUZIT-UHFFFAOYSA-N
Molecular Formula C13H12N2
Exact Mass 196.248 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QYCSNMDOZNUZIT-UHFFFAOYSA-N/CHMO0000604
License URL
Source https://www.chemotion-repository.net/inchikey/QYCSNMDOZNUZIT-UHFFFAOYSA-N/CHMO0000604
Version
Author Tilman Hans Köhler
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-05-21
Related Molecule
  • benzhydrylidenehydrazine
    • Field Value
    Measurement Technique heteronuclear single quantum coherence
    Measurement Variables
    title : Mar14-2024

    date : 20240315

    starting time : 0.20 h

    label : KT-570

    id : 287304

    Solvent : CD3CN

    temperature : 298.0 K

    PULPROG : hsqcedetgpsisp2.3

    number of scans : 4 scans

    instrument : Avance NEO

    Data-Source Molecule ID Data-Source
    480159 eMolecules
    15364743 PubChem: Thomson Pharma
    79304 PubChem
    5350-57-2 ACToR
    SCHEMBL1141828 SureChEMBL
    MCULE-4131077826 Mcule
    20208249 NMRShiftDB
    S2WWI81YAL FDA SRS
    CB0344340 ChemicalBook
    DTXSID6063806 EPA CompTox Dashboard
    ZINC000000270781 ZINC
    J1.834A Nikkaji
    ICOFAJ CCDC
    CHEMBL1881268 ChEMBL
    The data in this table is sourced from UniChem at EBI.