Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

molecular Image
InChI InChI=1S/C11H12S/c1-2-4-10(5-3-1)12-11-6-9(7-11)8-11/h1-5,9H,6-8H2
SMILES c1ccc(cc1)SC12CC(C1)C2
InChI Key AXGWEHWIGICNLX-UHFFFAOYSA-N
Molecular Formula C11H12S
Exact Mass 176.278 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/AXGWEHWIGICNLX-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/AXGWEHWIGICNLX-UHFFFAOYSA-N/CHMO0000593
Version
Author Lukas Langer
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-09-19
Related Molecule
  • 1-phenylsulfanylbicyclo[1.1.1]pentane
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    26135960 surechembl
    11309833 pubchem
    Molport-042-683-200 molport
    The data in this table is sourced from UniChem at EBI.