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Propennitrile, 2-(4-tert-butylbenzoyl)-3,3-di(methylthio)-
SpectraBase Compound ID HYWdjG6rfh7
InChI InChI=1S/C16H19NOS2/c1-16(2,3)12-8-6-11(7-9-12)14(18)13(10-17)15(19-4)20-5/h6-9H,1-5H3
InChIKey ZDOZIGPXTNROIU-UHFFFAOYSA-N
Mol Weight 305.45 g/mol
Molecular Formula C16H19NOS2
Exact Mass 305.090807 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9o3wRXKVKo8
Name Propennitrile, 2-(4-tert-butylbenzoyl)-3,3-di(methylthio)-
Alternate Name(s) 2-(4-tert-Butylbenzoyl)-3,3-bis(methylsulfanyl)acrylonitrile 2-(4-tert-butylbenzoyl)-3,3-bis(methylsulfanyl)prop-2-enenitrile 2-(4-tert-butylbenzoyl)-3,3-bis(methylthio)acrylonitrile 2-(4-tert-butylphenyl)carbonyl-3,3-bis(methylsulfanyl)prop-2-enenitrile 2-[(4-tert-butylphenyl)-oxomethyl]-3,3-bis(methylthio)-2-propenenitrile
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Formula C16H19NOS2
InChI InChI=1S/C16H19NOS2/c1-16(2,3)12-8-6-11(7-9-12)14(18)13(10-17)15(19-4)20-5/h6-9H,1-5H3
InChIKey ZDOZIGPXTNROIU-UHFFFAOYSA-N
Molecular Weight 305.454 g/mol
SMILES C(C(c1ccc(C(C)(C)C)cc1)=O)(=C(SC)SC)C#N
SPLASH splash10-03di-0910000000-f90d44440384efddc840
Source of Spectrum AD-0-2532-0
Wiley ID 1429746