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4-(1-Methyl-2-oxocyclopentyl)-4-(phenylthio)butanoic acid ethyl ester
SpectraBase Compound ID 62WvqhYEmMH
InChI InChI=1S/C18H24O3S/c1-3-21-17(20)12-11-16(18(2)13-7-10-15(18)19)22-14-8-5-4-6-9-14/h4-6,8-9,16H,3,7,10-13H2,1-2H3
InChIKey MUCOYDFMIHTCDD-UHFFFAOYSA-N
Mol Weight 320.45 g/mol
Molecular Formula C18H24O3S
Exact Mass 320.144616 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AYMAtY1ZnqJ
Name 4-(1-Methyl-2-oxocyclopentyl)-4-(phenylthio)butanoic acid ethyl ester
Alternate Name(s) 4-(2-keto-1-methyl-cyclopentyl)-4-(phenylthio)butyric acid ethyl ester Ethyl 4-(1-methyl-2-oxidanylidene-cyclopentyl)-4-phenylsulfanyl-butanoate Ethyl 4-(1-methyl-2-oxocyclopentyl)-4-phenylsulfanylbutanoate
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Formula C18H24O3S
InChI InChI=1S/C18H24O3S/c1-3-21-17(20)12-11-16(18(2)13-7-10-15(18)19)22-14-8-5-4-6-9-14/h4-6,8-9,16H,3,7,10-13H2,1-2H3
InChIKey MUCOYDFMIHTCDD-UHFFFAOYSA-N
Molecular Weight 320.447 g/mol
SMILES C1(C(Sc2ccccc2)CCC(=O)OCC)(C(=O)CCC1)C
SPLASH splash10-0002-9010000000-b72dbbd0fc32e62c89e4
Source of Spectrum U-1993-52-5
Wiley ID 764789