Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C17H9F5N2O2/c1-26-16(25)9-4-2-8(3-5-9)14-15(17(20,21)22)24-13-7-11(19)10(18)6-12(13)23-14/h2-7H,1H3
SMILES COC(=O)c1ccc(cc1)c1nc2cc(F)c(cc2nc1C(F)(F)F)F
InChI Key GWVZDEWKQUUMGB-UHFFFAOYSA-N
Exact Mass 368.258 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GWVZDEWKQUUMGB-UHFFFAOYSA-N/CHMO0000597
License URL
Source https://www.chemotion-repository.net/inchikey/GWVZDEWKQUUMGB-UHFFFAOYSA-N/CHMO0000597
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-03-16
Related Molecule
  • methyl 4-[6,7-difluoro-3-(trifluoromethyl)quinoxalin-2-yl]benzoate
    • Field Value
    Measurement Technique 19F nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    172877799 pubchem
    The data in this table is sourced from UniChem at EBI.