Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

molecular Image
InChI InChI=1S/C21H21F3O3/c1-14-15(5-4-6-19(14)25)8-9-16-10-11-17(13-18(16)21(22,23)24)27-20-7-2-3-12-26-20/h10-11,13,20H,2-7,12H2,1H3
SMILES CC1=C(CCCC1=O)C#Cc1ccc(cc1C(F)(F)F)OC1CCCCO1
InChI Key SJTJWJDCHHQJHE-UHFFFAOYSA-N
Molecular Formula C21H21F3O3
Exact Mass 378.385 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SJTJWJDCHHQJHE-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/SJTJWJDCHHQJHE-UHFFFAOYSA-N/CHMO0000593
Version
Author Lutz-F. Tietze
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-06-29
Related Molecule
  • 2-methyl-3-[2-[4-(oxan-2-yloxy)-2-(trifluoromethyl)phenyl]ethynyl]cyclohex-2-en-1-one
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    163410447 PubChem
    The data in this table is sourced from UniChem at EBI.