Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

molecular Image
InChI InChI=1S/C17H11F6N5/c18-16(19,20)11-7-5-10(6-8-11)9-27-12-3-1-2-4-13(12)28-15(24-25-26-28)14(27)17(21,22)23/h1-8,14H,9H2
SMILES FC(C1N(Cc2ccc(cc2)C(F)(F)F)c2ccccc2-n2c1nnn2)(F)F
InChI Key SOKMOIVIHVKKTO-UHFFFAOYSA-N
Exact Mass 399.293 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SOKMOIVIHVKKTO-UHFFFAOYSA-N/CHMO0000595.1
License URL
Source https://www.chemotion-repository.net/inchikey/SOKMOIVIHVKKTO-UHFFFAOYSA-N/CHMO0000595.1
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-03-16
Related Molecule
  • 4-(trifluoromethyl)-5-[[4-(trifluoromethyl)phenyl]methyl]-4H-tetrazolo[1,5-a]quinoxaline
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Title : LSH-R730 (F7-9)

    Date : 20231114

    Start time : 0.22 h

    Label : LSH-1937

    ID : 277728

    Solvent : chloroform-D1 (CDCl3)

    Temperature : 300.0 K K

    Puls programme : zgpg30

    Number of scans : 4096

    Instrument : spect

    Data-Source Molecule ID Data-Source
    172877817 pubchem
    The data in this table is sourced from UniChem at EBI.