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Butanenitrile, 2-[4-(1,1-dimethylethyl)-4-hydroxy-1,3-dithiolan-2-ylidene]-3,3-dimethyl-
SpectraBase Compound ID BhgXD291dDe
InChI InChI=1S/C13H21NOS2/c1-11(2,3)9(7-14)10-16-8-13(15,17-10)12(4,5)6/h15H,8H2,1-6H3/b10-9+
InChIKey VZCFVRXABULTSQ-MDZDMXLPSA-N
Mol Weight 271.44 g/mol
Molecular Formula C13H21NOS2
Exact Mass 271.106457 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EhZEc61WBdF
Name Butanenitrile, 2-[4-(1,1-dimethylethyl)-4-hydroxy-1,3-dithiolan-2-ylidene]-3,3-dimethyl-
CAS Registry Number 91529-53-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H21NOS2
InChI InChI=1S/C13H21NOS2/c1-11(2,3)9(7-14)10-16-8-13(15,17-10)12(4,5)6/h15H,8H2,1-6H3/b10-9+
InChIKey VZCFVRXABULTSQ-MDZDMXLPSA-N
Molecular Weight 271.437 g/mol
SMILES OC1(S\C(=C/(C#N)C(C)(C)C)SC1)C(C)(C)C
SPLASH splash10-0a4i-9000000000-c3219e5e47ff380fac54
Source of Spectrum K-117-2218-0
Synonyms (2Z)-2-(4-tert-butyl-4-hydroxy-1,3-dithiolan-2-ylidene)-3,3-dimethylbutanenitrile 2-(4-tert-butyl-4-hydroxy-1,3-dithiolan-2-ylidene)-3,3-dimethylbutyronitrile
Wiley ID 1275162