Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C13H9F3N2O2/c14-13(15,16)12-18-10(11(19)20-12)5-7-6-17-9-4-2-1-3-8(7)9/h1-4,6,12,17H,5H2
SMILES O=C1OC(N=C1Cc1c[nH]c2c1cccc2)C(F)(F)F
InChI Key RVJKVXTWANQDII-UHFFFAOYSA-N
Molecular Formula C13H9F3N2O2
Exact Mass 282.218 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RVJKVXTWANQDII-UHFFFAOYSA-N/CHMO0000597
License URL
Source https://www.chemotion-repository.net/inchikey/RVJKVXTWANQDII-UHFFFAOYSA-N/CHMO0000597
Version
Author Patrick Hodapp
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-09-02
Related Molecule
  • 4-(1H-indol-3-ylmethyl)-2-(trifluoromethyl)-2H-1,3-oxazol-5-one
    • Field Value
    Measurement Technique 19F nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    14409724 PubChem
    The data in this table is sourced from UniChem at EBI.