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
    CB3222786 ChemicalBook
    218069 Brenda
    163906 Brenda
    11474 PubChem
    521062 eMolecules
    15119740 PubChem: Thomson Pharma
    586-98-1 ACToR
    SCHEMBL29266 SureChEMBL
    CHEMBL2103981 ChEMBL
    PD000171 ProbesDrugs
    7HQ8UT1TPS FDA SRS
    DTXSID8046531 EPA CompTox Dashboard
    J32.889H Nikkaji
    HMDB0245309 Human Metabolome Database
    EMUBIX CCDC
    ZINC000000158585 ZINC
    195070 ChEBI
    20027665 NMRShiftDB
    MCULE-8322662999 Mcule
    The data in this table is sourced from UniChem at EBI.