Dataset

1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

dataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

Chemical Information

molecular Image
InChI InChI=1S/C8H10S/c1-6-3-4-8(9)5-7(6)2/h3-5,9H,1-2H3
SMILES Sc1ccc(c(c1)C)C
InChI Key IDKCKPBAFOIONK-UHFFFAOYSA-N
Molecular Formula C8H10S
Exact Mass 138.230 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IDKCKPBAFOIONK-UHFFFAOYSA-N/CHMO0001148
License URL
Source https://www.chemotion-repository.net/inchikey/IDKCKPBAFOIONK-UHFFFAOYSA-N/CHMO0001148
Version
Author Grace Hunt
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-08-09
Related Molecule
  • 3,4-dimethylbenzenethiol
    • Field Value
    Measurement Technique 1H–13C heteronuclear multiple bond coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    91378 surechembl
    87799 pubchem
    L4F41SS351 fdasrs
    DTXSID4066418 comptox
    Molport-000-154-961 molport
    The data in this table is sourced from UniChem at EBI.