Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C29H8F20O4/c30-5-9(34)17(42)25(18(43)10(5)35)50-1-29(2-51-26-19(44)11(36)6(31)12(37)20(26)45,3-52-27-21(46)13(38)7(32)14(39)22(27)47)4-53-28-23(48)15(40)8(33)16(41)24(28)49/h1-4H2
SMILES Fc1c(OCC(COc2c(F)c(F)c(c(c2F)F)F)(COc2c(F)c(F)c(c(c2F)F)F)COc2c(F)c(F)c(c(c2F)F)F)c(F)c(c(c1F)F)F
InChI Key XLECPAYGUDAPKN-UHFFFAOYSA-N
Molecular Formula C29H8F20O4
Exact Mass 800.339 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XLECPAYGUDAPKN-UHFFFAOYSA-N/CHMO0000597
License URL
Source https://www.chemotion-repository.net/inchikey/XLECPAYGUDAPKN-UHFFFAOYSA-N/CHMO0000597
Version
Author Lisa Schmidt
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-12-05
Related Molecule
  • 1,2,3,4,5-pentafluoro-6-[3-(2,3,4,5,6-pentafluorophenoxy)-2,2-bis[(2,3,4,5,6-pentafluorophenoxy)methyl]propoxy]benzene
    • Field Value
    Measurement Technique 19F nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    152409620 PubChem
    The data in this table is sourced from UniChem at EBI.