Dataset

heteronuclear multiple bond coherence (HMBC)

dataset for heteronuclear multiple bond coherence (HMBC)

Chemical Information

molecular Image
InChI InChI=1S/C15H11N3/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13/h1-11H
SMILES c1ccc(nc1)c1cccc(n1)c1ccccn1
InChI Key DRGAZIDRYFYHIJ-UHFFFAOYSA-N
Exact Mass 233.268 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DRGAZIDRYFYHIJ-UHFFFAOYSA-N/CHMO0000601
License URL
Source https://www.chemotion-repository.net/inchikey/DRGAZIDRYFYHIJ-UHFFFAOYSA-N/CHMO0000601
Version
Author Elena Foitzik
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-02-21
Related Molecule
  • 2,6-dipyridin-2-ylpyridine
    • Field Value
    Measurement Technique heteronuclear multiple bond coherence
    Measurement Variables
    title : EF-CCP2565

    date : 20240202

    starting time : 0.18 h

    label : CCP-2411

    id : 193919

    Solvent : chloroform-D1 (CDCl3)

    temperature : 300.0 K

    PULPROG : hmbcgpndqf

    number of scans : 8 scans

    instrument : spect

    Data-Source Molecule ID Data-Source
    90780 Brenda
    CB1407532 ChemicalBook
    20027673 NMRShiftDB
    SCHEMBL57442 SureChEMBL
    MCULE-7869708671 Mcule
    G5E357ISH5 FDA SRS
    1148-79-4 ACToR
    14798214 PubChem: Thomson Pharma
    PD011766 ProbesDrugs
    490543 eMolecules
    245199 ChEBI
    CHEMBL89445 ChEMBL
    J7.284B Nikkaji
    38924 BindingDB
    HMDB0245379 Human Metabolome Database
    VURYOW CCDC
    DTXSID2061567 EPA CompTox Dashboard
    ZINC000000009065 ZINC
    70848 PubChem
    The data in this table is sourced from UniChem at EBI.