Dataset

heteronuclear multiple bond coherence (HMBC)

dataset for heteronuclear multiple bond coherence (HMBC)

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/CHMO0000601
License URL
Source https://www.chemotion-repository.net/inchikey/IVURTNNWJAPOML-UHFFFAOYSA-N/CHMO0000601
Version
Author Fabian Schönle
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-04-25
Related Molecule
  • 5,10-dihydrophenazine
    • Field Value
    Measurement Technique heteronuclear multiple bond coherence
    Measurement Variables
    title : FAS-613-32-1

    date : 20240403

    starting time : 5.46 h

    label : FAS-14

    id : 115905

    Solvent : DMSO

    temperature : 300.0 K

    PULPROG : hmbcgpndqf

    number of scans : 8 scans

    instrument : spect

    Data-Source Molecule ID Data-Source
    CHEBI:132008 chebi
    29369547 surechembl
    624418 surechembl
    345330 pubchem
    MEMTED CCDC
    DTXSID80323047 comptox
    Molport-002-044-223 molport
    The data in this table is sourced from UniChem at EBI.