Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C21H30F3N3O/c1-5-6-7-8-9-10-14-27-17-15(12-11-13-16(17)21(22,23)24)18(26-27)25-19(28)20(2,3)4/h11-13H,5-10,14H2,1-4H3,(H,25,26,28)
SMILES CCCCCCCCn1nc(c2c1c(ccc2)C(F)(F)F)NC(=O)C(C)(C)C
InChI Key IUEMPKXSZCGPLL-UHFFFAOYSA-N
Molecular Formula C21H30F3N3O
Exact Mass 397.478 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IUEMPKXSZCGPLL-UHFFFAOYSA-N/CHMO0000597
License URL
Source https://www.chemotion-repository.net/inchikey/IUEMPKXSZCGPLL-UHFFFAOYSA-N/CHMO0000597
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-06-28
Related Molecule
  • 2,2-dimethyl-N-[1-octyl-7-(trifluoromethyl)indazol-3-yl]propanamide
    • Field Value
    Measurement Technique 19F nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453674 PubChem
    The data in this table is sourced from UniChem at EBI.