Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C12H16O3S2/c1-15-11(14)10(12-16-5-6-17-12)8-3-2-4-9(13)7-8/h8H,2-7H2,1H3
SMILES COC(=O)C(=C1SCCS1)C1CCCC(=O)C1
InChI Key ZNUPABCJWDFYLZ-UHFFFAOYSA-N
Molecular Formula C12H16O3S2
Exact Mass 272.384 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZNUPABCJWDFYLZ-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/ZNUPABCJWDFYLZ-UHFFFAOYSA-N/CHMO0000593
Version
Author Sylvia Vanderheiden-Schroen
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-02-12
Related Molecule
  • methyl 2-(1,3-dithiolan-2-ylidene)-2-(3-oxocyclohexyl)acetate
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    162623406 PubChem
    The data in this table is sourced from UniChem at EBI.