Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C16H24O9S/c1-6-26-16-15(24-11(5)20)14(23-10(4)19)13(22-9(3)18)12(25-16)7-21-8(2)17/h12-16H,6-7H2,1-5H3/t12-,13-,14+,15-,16+/m1/s1
SMILES CCS[C@@H]1O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C
InChI Key YPNFVZQPWZMHIF-LJIZCISZSA-N
Molecular Formula C16H24O9S
Exact Mass 392.421 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YPNFVZQPWZMHIF-LJIZCISZSA-N/NMR/13C/CDCl3/100
License URL
Source https://www.chemotion-repository.net/inchikey/YPNFVZQPWZMHIF-LJIZCISZSA-N/NMR/13C/CDCl3/100
Version
Author Benjamin Goerling
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-ethylsulfanyloxan-2-yl]methyl acetate
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    4181385 surechembl
    10960161 pubchem
    POCTEI CCDC
    Molport-027-720-794 molport
    The data in this table is sourced from UniChem at EBI.