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3-Octanone, 2,2-dimethyl-5-(phenylthio)-4-[1-(trimethylsilyl)ethylidene]-
SpectraBase Compound ID Afqc04lRUmt
InChI InChI=1S/C21H34OSSi/c1-9-13-18(23-17-14-11-10-12-15-17)19(16(2)24(6,7)8)20(22)21(3,4)5/h10-12,14-15,18H,9,13H2,1-8H3/b19-16+
InChIKey HWGYXTYBLVBCBI-KNTRCKAVSA-N
Mol Weight 362.6 g/mol
Molecular Formula C21H34OSSi
Exact Mass 362.209963 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FnTzigG6egc
Name 3-Octanone, 2,2-dimethyl-5-(phenylthio)-4-[1-(trimethylsilyl)ethylidene]-
CAS Registry Number 82202-02-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H34OSSi
InChI InChI=1S/C21H34OSSi/c1-9-13-18(23-17-14-11-10-12-15-17)19(16(2)24(6,7)8)20(22)21(3,4)5/h10-12,14-15,18H,9,13H2,1-8H3/b19-16+
InChIKey HWGYXTYBLVBCBI-KNTRCKAVSA-N
Molecular Weight 362.647 g/mol
SMILES C[Si](\C(=C\(C(C(C)(C)C)=O)C(Sc1ccccc1)CCC)C)(C)C
SPLASH splash10-0udi-0095000000-b63b179e82ce3f14ccbd
Source of Spectrum F-37-4033-0
Synonyms (4Z)-2,2-dimethyl-4-[1-(phenylsulfanyl)butyl]-5-(trimethylsilyl)-4-hexen-3-one 5-Trimethylsilyl-2,2-dimethyl-4-(1-phenylthiobutyl)hex-4-en-3-one
Wiley ID 1349762