Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C15H22O5S/c1-2-21-15-13(18)14(12(17)11(8-16)20-15)19-9-10-6-4-3-5-7-10/h3-7,11-18H,2,8-9H2,1H3/t11-,12-,13-,14+,15+/m1/s1
SMILES CCS[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)OCc1ccccc1)O
InChI Key QZYDYKUQPIMRSF-ZSAUSMIDSA-N
Molecular Formula C15H22O5S
Exact Mass 314.397 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QZYDYKUQPIMRSF-ZSAUSMIDSA-N/NMR/13C/CDCl3/100
License URL
Source https://www.chemotion-repository.net/inchikey/QZYDYKUQPIMRSF-ZSAUSMIDSA-N/NMR/13C/CDCl3/100
Version
Author Benjamin Goerling
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • (2S,3R,4S,5R,6R)-2-ethylsulfanyl-6-(hydroxymethyl)-4-phenylmethoxyoxane-3,5-diol
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    15469585 PubChem: Thomson Pharma
    10448363 PubChem
    J2.695.374J Nikkaji
    The data in this table is sourced from UniChem at EBI.