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3-(p-Cyanophenyl)thiopivalophenone
SpectraBase Compound ID H153uAOYxXj
InChI InChI=1S/C18H17NS/c1-18(2,17(20)16-6-4-3-5-7-16)12-14-8-10-15(13-19)11-9-14/h3-11H,12H2,1-2H3
InChIKey LEZXIFLUNLHACD-UHFFFAOYSA-N
Mol Weight 279.4 g/mol
Molecular Formula C18H17NS
Exact Mass 279.108171 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Crw8LPf0rWb
Name 3-(p-Cyanophenyl)thiopivalophenone
Alternate Name(s) 4-(2,2-dimethyl-3-phenyl-3-thioxopropyl)benzonitrile
CAS Registry Number 76963-07-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17NS
InChI InChI=1S/C18H17NS/c1-18(2,17(20)16-6-4-3-5-7-16)12-14-8-10-15(13-19)11-9-14/h3-11H,12H2,1-2H3
InChIKey LEZXIFLUNLHACD-UHFFFAOYSA-N
Molecular Weight 279.401 g/mol
SMILES C(C(=S)c1ccccc1)(Cc1ccc(C#N)cc1)(C)C
SPLASH splash10-00di-1910000000-ab961c37f9347ab4d96b
Source of Spectrum J-46-2015-0
Wiley ID 1283199