Dataset

heteronuclear multiple bond coherence (HMBC)

dataset for heteronuclear multiple bond coherence (HMBC)

Chemical Information

molecular Image
InChI InChI=1S/C11H8N2/c1-2-9-7-13-11-4-3-8(6-12)5-10(9)11/h2-5,7,13H,1H2
SMILES C=Cc1c[nH]c2c1cc(C#N)cc2
InChI Key OHIGKOFNMGVKOJ-UHFFFAOYSA-N
Molecular Formula C11H8N2
Exact Mass 168.195 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/OHIGKOFNMGVKOJ-UHFFFAOYSA-N/CHMO0000601
License URL
Source https://www.chemotion-repository.net/inchikey/OHIGKOFNMGVKOJ-UHFFFAOYSA-N/CHMO0000601
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-11-14
Related Molecule
  • 3-ethenyl-1H-indole-5-carbonitrile
    • Field Value
    Measurement Technique heteronuclear multiple bond coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    169408878 pubchem
    The data in this table is sourced from UniChem at EBI.