Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C18H17F3N2OS/c1-3-23(4-2)12-6-7-13(15(24)10-12)17-22-14-9-11(18(19,20)21)5-8-16(14)25-17/h5-10,24H,3-4H2,1-2H3
SMILES CCN(c1ccc(c(c1)O)c1nc2c(s1)ccc(c2)C(F)(F)F)CC
InChI Key QAQOBOMSEMAHEE-UHFFFAOYSA-N
Molecular Formula C18H17F3N2OS
Exact Mass 366.401 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QAQOBOMSEMAHEE-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/QAQOBOMSEMAHEE-UHFFFAOYSA-N/CHMO0000593
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-02-28
Related Molecule
  • 5-(diethylamino)-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]phenol
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    145944364 PubChem
    The data in this table is sourced from UniChem at EBI.