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(Z) Methyl 3-(Phenylthio)-4-(3-oxocyclohexyl)-4-(methoxycarbonyl)but-2-enoate
SpectraBase Compound ID 4o4W47QIQeN
InChI InChI=1S/C19H22O5S/c1-23-17(21)12-16(25-15-9-4-3-5-10-15)18(19(22)24-2)13-7-6-8-14(20)11-13/h3-5,9-10,12-13,18H,6-8,11H2,1-2H3/b16-12-
InChIKey UHBPBKSLGCYFLR-VBKFSLOCSA-N
Mol Weight 362.44 g/mol
Molecular Formula C19H22O5S
Exact Mass 362.118795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DKIPA5hQpU6
Name (Z) Methyl 3-(Phenylthio)-4-(3-oxocyclohexyl)-4-(methoxycarbonyl)but-2-enoate
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Formula C19H22O5S
InChI InChI=1S/C19H22O5S/c1-23-17(21)12-16(25-15-9-4-3-5-10-15)18(19(22)24-2)13-7-6-8-14(20)11-13/h3-5,9-10,12-13,18H,6-8,11H2,1-2H3/b16-12-
InChIKey UHBPBKSLGCYFLR-VBKFSLOCSA-N
Molecular Weight 362.440 g/mol
SMILES C(\C=C\(C(C1CC(=O)CCC1)C(=O)OC)Sc1ccccc1)(=O)OC
SPLASH splash10-08fv-7933000000-9fa24f5355e1ede012e8
Source of Spectrum J-58-6515-10
Synonyms Dimethyl (2Z)-4-(3-oxocyclohexyl)-3-(phenylsulfanyl)-2-pentenedioate
Wiley ID 1349486