Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C18H17F3N2S/c1-3-23(4-2)14-8-5-12(6-9-14)17-22-15-11-13(18(19,20)21)7-10-16(15)24-17/h5-11H,3-4H2,1-2H3
SMILES CCN(c1ccc(cc1)c1nc2c(s1)ccc(c2)C(F)(F)F)CC
InChI Key OILOLZJYRKDNOH-UHFFFAOYSA-N
Molecular Formula C18H17F3N2S
Exact Mass 350.401 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/OILOLZJYRKDNOH-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/OILOLZJYRKDNOH-UHFFFAOYSA-N/CHMO0000593
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-02-28
Related Molecule
  • N,N-diethyl-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
    145944365 PubChem
    The data in this table is sourced from UniChem at EBI.