Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

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

Chemical Info

molecular Image
InChI InChI=1S/C17H15F3O4/c1-23-9-3-4-12-14-10-11(17(18,19)20)6-7-13(14)16(22)24-15(12)5-2-8-21/h6-7,10,21H,2,5,8-9H2,1H3
SMILES COCC#Cc1c(CCCO)oc(=O)c2c1cc(cc2)C(F)(F)F
InChI Key LYSFGQUUZPMXBJ-UHFFFAOYSA-N
Molecular Formula C17H15F3O4
Exact Mass 340.294 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LYSFGQUUZPMXBJ-UHFFFAOYSA-N/CHMO0000597
License URL
Source https://www.chemotion-repository.net/inchikey/LYSFGQUUZPMXBJ-UHFFFAOYSA-N/CHMO0000597
Version
Author Irina Balova
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-06-02
Related Molecule
  • 3-(3-hydroxypropyl)-4-(3-methoxyprop-1-ynyl)-6-(trifluoromethyl)isochromen-1-one
    • Field Value
    Measurement Technique 19F nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    168301084 PubChem
    The data in this table is sourced from UniChem at EBI.