Dataset

heteronuclear single quantum coherence (HSQC)

dataset for heteronuclear single quantum coherence (HSQC)

Chemical Information

molecular Image
InChI InChI=1S/C8H5NO/c9-5-7-3-1-2-4-8(7)6-10/h1-4,6H
SMILES N#Cc1ccccc1C=O
InChI Key QVTPWONEVZJCCS-UHFFFAOYSA-N
Molecular Formula C8H5NO
Exact Mass 131.131 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QVTPWONEVZJCCS-UHFFFAOYSA-N/CHMO0000604
License URL
Source https://www.chemotion-repository.net/inchikey/QVTPWONEVZJCCS-UHFFFAOYSA-N/CHMO0000604
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-04-24
Related Molecule
  • 2-formylbenzonitrile
    • Field Value
    Measurement Technique heteronuclear single quantum coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL4469993 chembl
    98563 surechembl
    101209 pubchem
    GEHRIV CCDC
    163895 brenda
    251905 brenda
    Molport-001-760-464 molport
    The data in this table is sourced from UniChem at EBI.