Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

molecular Image
InChI InChI=1S/C18H12F3N3O/c1-25-12-6-4-5-11(9-12)15-10-22-17-16(18(19,20)21)23-13-7-2-3-8-14(13)24(15)17/h2-10H,1H3
SMILES COc1cccc(c1)c1cnc2n1c1ccccc1nc2C(F)(F)F
InChI Key RGFFLDSTQTWVHZ-UHFFFAOYSA-N
Molecular Formula C18H12F3N3O
Exact Mass 343.303 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RGFFLDSTQTWVHZ-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/RGFFLDSTQTWVHZ-UHFFFAOYSA-N/CHMO0000593
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-03-14
Related Molecule
  • 1-(3-methoxyphenyl)-4-(trifluoromethyl)imidazo[1,2-a]quinoxaline
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    title : LSH-R33(F10-13)

    date : 20240207

    starting time : 17.06 h

    label : KSS-92

    id : 289638

    Solvent : chloroform-D1 (CDCl3)

    temperature : 300.0 K

    PULPROG : zg30

    number of scans : 16 scans

    instrument : spect

    Data-Source Molecule ID Data-Source
    172877750 pubchem
    The data in this table is sourced from UniChem at EBI.