Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

molecular Image
InChI InChI=1S/C12H10N2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-8,13-14H
SMILES c1ccc2c(c1)Nc1c(N2)cccc1
InChI Key IVURTNNWJAPOML-UHFFFAOYSA-N
Molecular Formula C12H10N2
Exact Mass 182.221 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IVURTNNWJAPOML-UHFFFAOYSA-N/CHMO0000593.1
License URL
Source https://www.chemotion-repository.net/inchikey/IVURTNNWJAPOML-UHFFFAOYSA-N/CHMO0000593.1
Version
Author Fabian Schönle
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-04-25
Related Molecule
  • 5,10-dihydrophenazine
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    title : FAS-613-32-1

    date : 20240402

    starting time : 15.57 h

    label : FAS-14

    id : 115905

    Solvent : chloroform-D1 (CDCl3)

    temperature : 300.0 K

    PULPROG : zg30

    number of scans : 16 scans

    instrument : spect

    Data-Source Molecule ID Data-Source
    SCHEMBL624418 SureChEMBL
    613-32-1 ACToR
    30075627 eMolecules
    345330 PubChem
    70002174 NMRShiftDB
    14843261 PubChem: Thomson Pharma
    MTBLC132008 Metabolights
    132008 Rhea
    CB4481494 ChemicalBook
    ZINC000000586569 ZINC
    DTXSID80323047 EPA CompTox Dashboard
    J137.490G Nikkaji
    MEMTED CCDC
    132008 ChEBI
    The data in this table is sourced from UniChem at EBI.