Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C20H19FO2/c1-12(2)17-9-4-13(3)19-18(17)11-15(20(22)23-19)10-14-5-7-16(21)8-6-14/h4-9,11-12H,10H2,1-3H3
SMILES Fc1ccc(cc1)Cc1cc2c(ccc(c2oc1=O)C)C(C)C
InChI Key JXORRYXWZBFIRF-UHFFFAOYSA-N
Molecular Formula C20H19FO2
Exact Mass 310.362 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JXORRYXWZBFIRF-UHFFFAOYSA-N/CHMO0000597
License URL
Source https://www.chemotion-repository.net/inchikey/JXORRYXWZBFIRF-UHFFFAOYSA-N/CHMO0000597
Version
Author Sylvia Vanderheiden-Schroen
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-01-07
Related Molecule
  • 3-[(4-fluorophenyl)methyl]-8-methyl-5-propan-2-ylchromen-2-one
    • Field Value
    Measurement Technique 19F nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    162393337 PubChem
    The data in this table is sourced from UniChem at EBI.