Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C15H7F3N2S/c16-15(17,18)11-5-6-13-12(7-11)20-14(21-13)10-3-1-9(8-19)2-4-10/h1-7H
SMILES N#Cc1ccc(cc1)c1nc2c(s1)ccc(c2)C(F)(F)F
InChI Key VWIUYPPDMZVIQO-UHFFFAOYSA-N
Molecular Formula C15H7F3N2S
Exact Mass 304.290 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VWIUYPPDMZVIQO-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/VWIUYPPDMZVIQO-UHFFFAOYSA-N/CHMO0000593
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-02-28
Related Molecule
  • 4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzonitrile
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    145944370 PubChem
    The data in this table is sourced from UniChem at EBI.