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5-Hepten-3-one, 2,6-dimethyl-5-(phenylsulfonyl)-7-(trimethylsilyl)-
SpectraBase Compound ID DOFfwBCpuqD
InChI InChI=1S/C18H28O3SSi/c1-14(2)17(19)12-18(15(3)13-23(4,5)6)22(20,21)16-10-8-7-9-11-16/h7-11,14H,12-13H2,1-6H3/b18-15-
InChIKey JYBAECBBUMBJAE-SDXDJHTJSA-N
Mol Weight 352.56 g/mol
Molecular Formula C18H28O3SSi
Exact Mass 352.152842 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IxrBLMIWsb8
Name 5-Hepten-3-one, 2,6-dimethyl-5-(phenylsulfonyl)-7-(trimethylsilyl)-
CAS Registry Number 116279-78-8
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H28O3SSi
InChI InChI=1S/C18H28O3SSi/c1-14(2)17(19)12-18(15(3)13-23(4,5)6)22(20,21)16-10-8-7-9-11-16/h7-11,14H,12-13H2,1-6H3/b18-15-
InChIKey JYBAECBBUMBJAE-SDXDJHTJSA-N
Molecular Weight 352.564 g/mol
SMILES C(\C(=C\(S(=O)(=O)c1ccccc1)CC(=O)C(C)C)C)[Si](C)(C)C
SPLASH splash10-03di-0090000000-4c788f8988fca66cce38
Source of Spectrum J-53-4872-8
Synonyms (5Z)-2,6-dimethyl-5-(phenylsulfonyl)-7-(trimethylsilyl)-5-hepten-3-one 2,6-Dimethyl-5-(phenylsulfonyl)-7-(trimethylsilyl)-5-hepten-3-one
Wiley ID 1343154