Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C20H32F3NO4S/c1-3-5-6-7-8-9-10-11-12-13-14-29-17-18(26)28-19(24-17,20(21,22)23)15-16(25)27-4-2/h3-15H2,1-2H3
SMILES CCCCCCCCCCCCSC1=NC(OC1=O)(CC(=O)OCC)C(F)(F)F
InChI Key UZUXLIGESWHQGW-UHFFFAOYSA-N
Molecular Formula C20H32F3NO4S
Exact Mass 439.533 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UZUXLIGESWHQGW-UHFFFAOYSA-N/NMR/13C/CDCl3/62.5
License URL
Source https://www.chemotion-repository.net/inchikey/UZUXLIGESWHQGW-UHFFFAOYSA-N/NMR/13C/CDCl3/62.5
Version
Author Sylvia Vanderheiden-Schroen
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • ethyl 2-[4-dodecylsulfanyl-5-oxo-2-(trifluoromethyl)-1,3-oxazol-2-yl]acetate
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    73427455 PubChem
    The data in this table is sourced from UniChem at EBI.