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

*Links on SpectraBase are not permalinks.
[4-tert-Butyl-3-(3-trifluoromethylphenyl)-2,3-dihydrothiazol-2-ylidene]-4-nitrophenylacetonitrile
SpectraBase Compound ID BgCrF3wqjVS
InChI InChI=1S/C22H18F3N3O2S/c1-21(2,3)19-13-31-20(18(12-26)14-7-9-16(10-8-14)28(29)30)27(19)17-6-4-5-15(11-17)22(23,24)25/h4-11,13H,1-3H3/b20-18-
InChIKey WFGOGNROJJVIPF-ZZEZOPTASA-N
Mol Weight 445.46 g/mol
Molecular Formula C22H18F3N3O2S
Exact Mass 445.107182 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 BZTsmI9XykL
Name [4-tert-Butyl-3-(3-trifluoromethylphenyl)-2,3-dihydrothiazol-2-ylidene]-4-nitrophenylacetonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H18F3N3O2S
InChI InChI=1S/C22H18F3N3O2S/c1-21(2,3)19-13-31-20(18(12-26)14-7-9-16(10-8-14)28(29)30)27(19)17-6-4-5-15(11-17)22(23,24)25/h4-11,13H,1-3H3/b20-18-
InChIKey WFGOGNROJJVIPF-ZZEZOPTASA-N
Literature Reference DOI 10.1002_1521-3897(200006)342_6_554
Molecular Weight 445.460 g/mol
SMILES c1ccc(cc1C(F)(F)F)N1C(=CS\C1=C\(c1ccc(cc1)[N+](=O)[O-])C#N)C(C)(C)C
SPLASH splash10-0002-0000900000-e600d9d14e7e2cce91f1
Source of Spectrum JF-342-558-6a
Synonyms (E)-2-(4-(tert-butyl)-3-(3-(trifluoromethyl)phenyl)thiazol-2(3H)-ylidene)-2-(4-nitrophenyl)acetonitrile
Wiley ID 1767044