Dataset

heteronuclear multiple bond coherence (HMBC)

dataset for heteronuclear multiple bond coherence (HMBC)

Chemical Information

molecular Image
InChI InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3
SMILES Cc1ccccn1
InChI Key BSKHPKMHTQYZBB-UHFFFAOYSA-N
Molecular Formula C6H7N
Exact Mass 93.126 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BSKHPKMHTQYZBB-UHFFFAOYSA-N/CHMO0000601
License URL
Source https://www.chemotion-repository.net/inchikey/BSKHPKMHTQYZBB-UHFFFAOYSA-N/CHMO0000601
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-06-12
Related Molecule
  • 2-methylpyridine
    • Field Value
    Measurement Technique heteronuclear multiple bond coherence
    Measurement Variables
    date : 2025-05-15

    starting time : 01:11:01 UTC

    creator : Simone Gräßle

    label : CCP-3700

    id : 368290

    Solvent : CDCl3

    temperature : 297.996144570611 K

    PULPROG : hmbcgpndqf

    number of scans : 8 scans

    instrument : Avance NEO 400

    Name : TopSpin

    Data-Source Molecule ID Data-Source
    CHEMBL15732 chembl
    2684 surechembl
    29472848 surechembl
    7975 pubchem
    3716Q16Q6A fdasrs
    PD200911 probes_and_drugs
    ZZZHKQ CCDC
    109443 brenda
    146223 brenda
    32588 brenda
    91119 brenda
    HMDB0061888 hmdb
    Molport-019-379-301 molport
    The data in this table is sourced from UniChem at EBI.