Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C9H14O4S2/c1-6(10)14-4-8(9(12)13-3)5-15-7(2)11/h8H,4-5H2,1-3H3
SMILES COC(=O)C(CSC(=O)C)CSC(=O)C
InChI Key AMOBBDHYJVQOCY-UHFFFAOYSA-N
Molecular Formula C9H14O4S2
Exact Mass 250.335 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/AMOBBDHYJVQOCY-UHFFFAOYSA-N/13CNMR
License URL
Source https://www.chemotion-repository.net/inchikey/AMOBBDHYJVQOCY-UHFFFAOYSA-N/13CNMR
Version
Author Steven Susanto
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-01-21
Related Molecule
  • methyl 3-acetylsulfanyl-2-(acetylsulfanylmethyl)propanoate
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    53650847 pubchem
    The data in this table is sourced from UniChem at EBI.