Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C16H11F3N6O2/c17-16(18,19)14-15-20-21-22-24(15)13-4-2-1-3-12(13)23(14)9-10-5-7-11(8-6-10)25(26)27/h1-8,14H,9H2
SMILES [O-][N+](=O)c1ccc(cc1)CN1c2ccccc2-n2c(C1C(F)(F)F)nnn2
InChI Key VQNNVIYHAMJYIS-UHFFFAOYSA-N
Exact Mass 376.293 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VQNNVIYHAMJYIS-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/VQNNVIYHAMJYIS-UHFFFAOYSA-N/CHMO0000593
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-03-16
Related Molecule
  • 5-[(4-nitrophenyl)methyl]-4-(trifluoromethyl)-4H-tetrazolo[1,5-a]quinoxaline
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    title : LSH-R130 (F21-28)_2

    date : 20190910

    starting time : 12.49 h

    label : LSH-1295

    id : 118129

    Solvent : chloroform-D1 (CDCl3)

    temperature : 298.0 K

    PULPROG : zg30

    number of scans : 16 scans

    instrument : spect

    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.