Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

dataset for 19F nuclear magnetic resonance spectroscopy (19F NMR)

Chemical Information

molecular Image
InChI InChI=1S/C21H18F6O4S2/c1-5-30-17(28)13-7-11(9(3)32-13)15-16(20(24,25)21(26,27)19(15,22)23)12-8-14(33-10(12)4)18(29)31-6-2/h7-8H,5-6H2,1-4H3
SMILES CCOC(=O)c1cc(c(s1)C)C1=C(c2cc(sc2C)C(=O)OCC)C(C(C1(F)F)(F)F)(F)F
InChI Key WKPXHJQLONTGKN-UHFFFAOYSA-N
Molecular Formula C21H18F6O4S2
Exact Mass 512.486 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WKPXHJQLONTGKN-UHFFFAOYSA-N/CHMO0000597
License URL
Source https://www.chemotion-repository.net/inchikey/WKPXHJQLONTGKN-UHFFFAOYSA-N/CHMO0000597
Version
Author Sylvain Grosjean
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-08-06
Related Molecule
  • ethyl 4-[2-(5-ethoxycarbonyl-2-methylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophene-2-carboxylate
    • Field Value
    Measurement Technique 19F nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    146681763 pubchem
    The data in this table is sourced from UniChem at EBI.