Dataset

heteronuclear multiple bond coherence (HMBC)

dataset for heteronuclear multiple bond coherence (HMBC)

Chemical Information

molecular Image
InChI InChI=1S/C6H7NO/c8-5-6-3-1-2-4-7-6/h1-4,8H,5H2
SMILES OCc1ccccn1
InChI Key SHNUBALDGXWUJI-UHFFFAOYSA-N
Molecular Formula C6H7NO
Exact Mass 109.126 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SHNUBALDGXWUJI-UHFFFAOYSA-N/CHMO0000601
License URL
Source https://www.chemotion-repository.net/inchikey/SHNUBALDGXWUJI-UHFFFAOYSA-N/CHMO0000601
Version
Author Fabian Schönle
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-04-05
Related Molecule
  • pyridin-2-ylmethanol
    • Field Value
    Measurement Technique heteronuclear multiple bond coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:195070 chebi
    CHEMBL2103981 chembl
    29266 surechembl
    29530498 surechembl
    11474 pubchem
    7HQ8UT1TPS fdasrs
    DB20219 drugbank
    PD000171 probes_and_drugs
    EMUBIX CCDC
    163906 brenda
    178298 brenda
    218069 brenda
    HMDB0245309 hmdb
    Molport-000-142-271 molport
    The data in this table is sourced from UniChem at EBI.