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Methyl 3-(phenylthio)-4-(3-(trimethylsilyoxy)-2-methyl-2-cyclohexenyl)but-2-enoate
SpectraBase Compound ID BKpQ8xDPDXE
InChI InChI=1S/C21H30O3SSi/c1-16-17(10-9-13-20(16)24-26(3,4)5)14-19(15-21(22)23-2)25-18-11-7-6-8-12-18/h6-8,11-12,15,17H,9-10,13-14H2,1-5H3/b19-15+
InChIKey SZMCJTWRCNUKBC-XDJHFCHBSA-N
Mol Weight 390.61 g/mol
Molecular Formula C21H30O3SSi
Exact Mass 390.168493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1GcL9rhkoAb
Name Methyl 3-(phenylthio)-4-(3-(trimethylsilyoxy)-2-methyl-2-cyclohexenyl)but-2-enoate
CAS Registry Number 105090-20-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30O3SSi
InChI InChI=1S/C21H30O3SSi/c1-16-17(10-9-13-20(16)24-26(3,4)5)14-19(15-21(22)23-2)25-18-11-7-6-8-12-18/h6-8,11-12,15,17H,9-10,13-14H2,1-5H3/b19-15+
InChIKey SZMCJTWRCNUKBC-XDJHFCHBSA-N
Molecular Weight 390.613 g/mol
SMILES C1(=C(C(C\C(=C/C(=O)OC)Sc2ccccc2)CCC1)C)O[Si](C)(C)C
SPLASH splash10-001i-3900000000-69262a69e1cb4129f73d
Source of Spectrum J-52-117-24
Synonyms Methyl (2E)-4-{2-methyl-3-[(trimethylsilyl)oxy]-2-cyclohexen-1-yl}-3-(phenylsulfanyl)-2-butenoate
Wiley ID 1364811