Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C18H24N2O6S2/c1-7-25-15(21)11-9-14(28-18(24)20(5)6)12(16(22)26-8-2)10-13(11)27-17(23)19(3)4/h9-10H,7-8H2,1-6H3
SMILES CCOC(=O)c1cc(SC(=O)N(C)C)c(cc1SC(=O)N(C)C)C(=O)OCC
InChI Key XYTFSAKDCYCQRJ-UHFFFAOYSA-N
Molecular Formula C18H24N2O6S2
Exact Mass 428.523 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XYTFSAKDCYCQRJ-UHFFFAOYSA-N/NMR/13C/CDCl3/125
License URL
Source https://www.chemotion-repository.net/inchikey/XYTFSAKDCYCQRJ-UHFFFAOYSA-N/NMR/13C/CDCl3/125
Version
Author Sylvain Grosjean
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • diethyl 2,5-bis(dimethylcarbamoylsulfanyl)benzene-1,4-dicarboxylate
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    551971 pubchem
    OGIHAQ CCDC
    The data in this table is sourced from UniChem at EBI.