Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C27H31F3O3/c1-5-6-7-10-13-26(2,3)20-16-23(32-4)21-15-19(25(31)33-24(21)17-20)14-18-11-8-9-12-22(18)27(28,29)30/h8-9,11-12,15-17H,5-7,10,13-14H2,1-4H3
SMILES CCCCCCC(c1cc(OC)c2c(c1)oc(=O)c(c2)Cc1ccccc1C(F)(F)F)(C)C
InChI Key GJJDFOZJWCAKIR-UHFFFAOYSA-N
Exact Mass 460.528 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GJJDFOZJWCAKIR-UHFFFAOYSA-N/CHMO0000597
License URL
Source https://www.chemotion-repository.net/inchikey/GJJDFOZJWCAKIR-UHFFFAOYSA-N/CHMO0000597
Version
Author Florian Mohr
Maintainer Chemotion Repository
Language english
MetadataPublished 2026-04-28T13:07:29Z
Related Molecule
  • 5-methoxy-7-(2-methyloctan-2-yl)-3-[[2-(trifluoromethyl)phenyl]methyl]chromen-2-one
    • Field Value
    Measurement Technique 19F nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL4858513 chembl
    164609904 pubchem
    50578430 bindingdb
    The data in this table is sourced from UniChem at EBI.