Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C15H11F3N2S/c1-19-11-5-2-9(3-6-11)14-20-12-8-10(15(16,17)18)4-7-13(12)21-14/h2-8,19H,1H3
SMILES CNc1ccc(cc1)c1nc2c(s1)ccc(c2)C(F)(F)F
InChI Key GMLILFMFNDCNOD-UHFFFAOYSA-N
Molecular Formula C15H11F3N2S
Exact Mass 308.321 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GMLILFMFNDCNOD-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/GMLILFMFNDCNOD-UHFFFAOYSA-N/CHMO0000593
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-02-28
Related Molecule
  • N-methyl-4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]aniline
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    104698784 PubChem
    The data in this table is sourced from UniChem at EBI.