Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C9H10F3O3P/c1-14-16(13,15-2)8-5-3-7(4-6-8)9(10,11)12/h3-6H,1-2H3
SMILES COP(=O)(c1ccc(cc1)C(F)(F)F)OC
InChI Key MCZBOCRWDQOCCV-UHFFFAOYSA-N
Molecular Formula C9H10F3O3P
Exact Mass 254.143 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MCZBOCRWDQOCCV-UHFFFAOYSA-N/CHMO0000597
License URL
Source https://www.chemotion-repository.net/inchikey/MCZBOCRWDQOCCV-UHFFFAOYSA-N/CHMO0000597
Version
Author Christoph Zippel
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-01-21
Related Molecule
  • 1-dimethoxyphosphoryl-4-(trifluoromethyl)benzene
    • Field Value
    Measurement Technique 19F nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL4636384 ChEMBL
    J1.901.740K Nikkaji
    85828999 PubChem
    The data in this table is sourced from UniChem at EBI.