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Methyl 3-(phenylthio)-4-(3-oxocyclohexyl)but-2-enoate (Z)
SpectraBase Compound ID BGa8GNweQCy
InChI InChI=1S/C17H20O3S/c1-20-17(19)12-16(21-15-8-3-2-4-9-15)11-13-6-5-7-14(18)10-13/h2-4,8-9,12-13H,5-7,10-11H2,1H3/b16-12-
InChIKey GSQPNLXOJVNOAL-VBKFSLOCSA-N
Mol Weight 304.4 g/mol
Molecular Formula C17H20O3S
Exact Mass 304.113316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7uuFHmWXvB0
Name Methyl 3-(phenylthio)-4-(3-oxocyclohexyl)but-2-enoate (Z)
CAS Registry Number 105090-04-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20O3S
InChI InChI=1S/C17H20O3S/c1-20-17(19)12-16(21-15-8-3-2-4-9-15)11-13-6-5-7-14(18)10-13/h2-4,8-9,12-13H,5-7,10-11H2,1H3/b16-12-
InChIKey GSQPNLXOJVNOAL-VBKFSLOCSA-N
Molecular Weight 304.404 g/mol
SMILES c1(S\C(=C/C(=O)OC)CC2CC(=O)CCC2)ccccc1
SPLASH splash10-03ec-4932000000-6cb29ef5c2697a874602
Source of Spectrum J-52-116-0
Synonyms Methyl (2Z)-4-(3-oxocyclohexyl)-3-(phenylsulfanyl)-2-butenoate
Wiley ID 1306434