Dataset

1H--1H correlation spectroscopy (1H-1H COSY)

dataset for 1H--1H correlation spectroscopy (1H-1H COSY)

Chemical Info

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/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/IDKCKPBAFOIONK-UHFFFAOYSA-N/CHMO0001150
Version
Author Grace Hunt
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-08-09
Related Molecule
  • 3,4-dimethylbenzenethiol
    • Field Value
    Measurement Technique 1H–1H correlation spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    493416 eMolecules
    26517050 PubChem: Thomson Pharma
    87799 PubChem
    18800-53-8 ACToR
    DTXSID4066418 EPA CompTox Dashboard
    L4F41SS351 FDA SRS
    CB7480786 ChemicalBook
    ZINC000019230163 ZINC
    SCHEMBL91378 SureChEMBL
    J155.604E Nikkaji
    The data in this table is sourced from UniChem at EBI.