Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C16H18S2/c1-2-14(18-16-8-12(9-16)10-16)4-3-13(1)17-15-5-11(6-15)7-15/h1-4,11-12H,5-10H2
SMILES C1C2CC1(C2)Sc1ccc(cc1)SC12CC(C1)C2
InChI Key MRUUCJCNLWIXRL-UHFFFAOYSA-N
Molecular Formula C16H18S2
Exact Mass 274.444 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MRUUCJCNLWIXRL-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/MRUUCJCNLWIXRL-UHFFFAOYSA-N/CHMO0000593
Version
Author Lukas Langer
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-02-17
Related Molecule
  • 1-[4-(1-bicyclo[1.1.1]pentanylsulfanyl)phenyl]sulfanylbicyclo[1.1.1]pentane
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    145926380 pubchem
    The data in this table is sourced from UniChem at EBI.