Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C9H3F5N2O/c10-3-1-5-6(2-4(3)11)16-8(17)7(15-5)9(12,13)14/h1-2H,(H,16,17)
SMILES Fc1cc2[nH]c(=O)c(nc2cc1F)C(F)(F)F
InChI Key SXUXOAKIGLDVRX-UHFFFAOYSA-N
Exact Mass 250.125 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SXUXOAKIGLDVRX-UHFFFAOYSA-N/CHMO0000597
License URL
Source https://www.chemotion-repository.net/inchikey/SXUXOAKIGLDVRX-UHFFFAOYSA-N/CHMO0000597
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-03-17
Related Molecule
  • 6,7-difluoro-3-(trifluoromethyl)-1H-quinoxalin-2-one
    • Field Value
    Measurement Technique 19F nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    15715428 PubChem: Thomson Pharma
    10682101 PubChem
    The data in this table is sourced from UniChem at EBI.