Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

molecular Image
InChI InChI=1S/C12H18O4S2/c1-4-8(12-17-5-6-18-12)9(11(14)16-3)7-10(13)15-2/h9H,4-7H2,1-3H3
SMILES CCC(=C1SCCS1)C(C(=O)OC)CC(=O)OC
InChI Key MRPUMAFLNFWMQI-UHFFFAOYSA-N
Molecular Formula C12H18O4S2
Exact Mass 290.399 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MRPUMAFLNFWMQI-UHFFFAOYSA-N/13CNMR
License URL
Source https://www.chemotion-repository.net/inchikey/MRPUMAFLNFWMQI-UHFFFAOYSA-N/13CNMR
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2018-05-18
Related Molecule
  • dimethyl 2-[1-(1,3-dithiolan-2-ylidene)propyl]butanedioate
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    133084226 pubchem
    The data in this table is sourced from UniChem at EBI.