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3-Ethyl-4-phenylsulfanylmethylcyclopentane-1,1-dicarboxylic acid diethyl ester
SpectraBase Compound ID 3gg4gsyRHMr
InChI InChI=1S/C20H28O4S/c1-4-15-12-20(18(21)23-5-2,19(22)24-6-3)13-16(15)14-25-17-10-8-7-9-11-17/h7-11,15-16H,4-6,12-14H2,1-3H3
InChIKey DEGXYBXRTJNXJP-UHFFFAOYSA-N
Mol Weight 364.5 g/mol
Molecular Formula C20H28O4S
Exact Mass 364.170831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K4mOaxz6nnf
Name 3-Ethyl-4-phenylsulfanylmethylcyclopentane-1,1-dicarboxylic acid diethyl ester
Alternate Name(s) Diethyl 3-ethyl-4-((phenylthio)methyl)cyclopentane-1,1-dicarboxylate
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Formula C20H28O4S
InChI InChI=1S/C20H28O4S/c1-4-15-12-20(18(21)23-5-2,19(22)24-6-3)13-16(15)14-25-17-10-8-7-9-11-17/h7-11,15-16H,4-6,12-14H2,1-3H3
InChIKey DEGXYBXRTJNXJP-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200505211
Molecular Weight 364.500 g/mol
SMILES C1(CC(C(C1)CSc1ccccc1)CC)(C(=O)OCC)C(=O)OCC
SPLASH splash10-001s-9700000000-8b0a8e8e35ddb7483b04
Source of Spectrum ASC-347-1587/SM11-3i
Wiley ID 1767770