Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C17H11F3N6/c18-17(19,20)15-16-22-23-24-26(16)14-8-4-3-7-13(14)25(15)10-12-6-2-1-5-11(12)9-21/h1-8,15H,10H2
SMILES N#Cc1ccccc1CN1c2ccccc2-n2c(C1C(F)(F)F)nnn2
InChI Key ABHQBLXPMRVONB-UHFFFAOYSA-N
Exact Mass 356.305 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ABHQBLXPMRVONB-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/ABHQBLXPMRVONB-UHFFFAOYSA-N/CHMO0000595
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-03-16
Related Molecule
  • 2-[[4-(trifluoromethyl)-4H-tetrazolo[1,5-a]quinoxalin-5-yl]methyl]benzonitrile
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Title : LSH-R132 (F1-7)

    Date : 20190907

    Start time : 4.30 h

    Label : LSH-1286

    ID : 118113

    Solvent : chloroform-D1 (CDCl3)

    Temperature : 300.0 K K

    Puls programme : zgpg30

    Number of scans : 512

    Instrument : spect

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