Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C19H12F15N3O3/c1-39-11(40-2)9-10(36-8-6-4-3-5-7(8)35-9)37-12(38)13(20,21)14(22,23)15(24,25)16(26,27)17(28,29)18(30,31)19(32,33)34/h3-6,11H,1-2H3,(H,36,37,38)
SMILES COC(c1nc2ccccc2nc1NC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OC
InChI Key RAIYLFDXXXLNJU-UHFFFAOYSA-N
Molecular Formula C19H12F15N3O3
Exact Mass 615.293 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RAIYLFDXXXLNJU-UHFFFAOYSA-N/CHMO0000597
License URL
Source https://www.chemotion-repository.net/inchikey/RAIYLFDXXXLNJU-UHFFFAOYSA-N/CHMO0000597
Version
Author Jérôme Klein
Maintainer Chemotion Repository
Language english
MetadataPublished 2021-12-26
Related Molecule
  • N-[3-(dimethoxymethyl)quinoxalin-2-yl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide
    • Field Value
    Measurement Technique 19F nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    162369941 PubChem
    The data in this table is sourced from UniChem at EBI.