For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2-[3-phenyl-5-(trifluoromethyl)-1-pyrazolyl]-4,5,6,7-tetrahydro-1,3-benzothiazole
SpectraBase Compound ID IdCQ8jNdb7f
InChI InChI=1S/C17H14F3N3S/c18-17(19,20)15-10-13(11-6-2-1-3-7-11)22-23(15)16-21-12-8-4-5-9-14(12)24-16/h1-3,6-7,10H,4-5,8-9H2
InChIKey NCEKNXQPRSVAMX-UHFFFAOYSA-N
Mol Weight 349.38 g/mol
Molecular Formula C17H14F3N3S
Exact Mass 349.086053 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID EJJfY1AE71q
Name 2-[3-phenyl-5-(trifluoromethyl)-1-pyrazolyl]-4,5,6,7-tetrahydro-1,3-benzothiazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H14F3N3S
InChI InChI=1S/C17H14F3N3S/c18-17(19,20)15-10-13(11-6-2-1-3-7-11)22-23(15)16-21-12-8-4-5-9-14(12)24-16/h1-3,6-7,10H,4-5,8-9H2
InChIKey NCEKNXQPRSVAMX-UHFFFAOYSA-N
Molecular Weight 349.375 g/mol
SMILES c1([n](nc(c1)-c1ccccc1)-c1nc2CCCCc2s1)C(F)(F)F
SPLASH splash10-0002-0109000000-8fc86ea03aa5f2f54f0f
Source of Spectrum C5-2002-1082-4
Synonyms 2-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole
Wiley ID 1614712