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benzyl 2,3-dimethyl-4,4-bis(ethoxycarbonyl)butanedithioate
SpectraBase Compound ID 4s9jLIOEGwL
InChI InChI=1S/C19H26O4S2/c1-5-22-17(20)16(18(21)23-6-2)13(3)14(4)19(24)25-12-15-10-8-7-9-11-15/h7-11,13-14,16H,5-6,12H2,1-4H3
InChIKey XJHBZTZCIREWMY-UHFFFAOYSA-N
Mol Weight 382.53 g/mol
Molecular Formula C19H26O4S2
Exact Mass 382.127252 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID zUfiED5r05
Name benzyl 2,3-dimethyl-4,4-bis(ethoxycarbonyl)butanedithioate
Alternate Name(s) Diethyl 2-[3-(benzylsulfanyl)-1,2-dimethyl-3-thioxopropyl]malonate
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Formula C19H26O4S2
InChI InChI=1S/C19H26O4S2/c1-5-22-17(20)16(18(21)23-6-2)13(3)14(4)19(24)25-12-15-10-8-7-9-11-15/h7-11,13-14,16H,5-6,12H2,1-4H3
InChIKey XJHBZTZCIREWMY-UHFFFAOYSA-N
Molecular Weight 382.533 g/mol
SMILES C(C(C(C(SCc1ccccc1)=S)C)C)(C(=O)OCC)C(=O)OCC
SPLASH splash10-0006-9211000000-b995ad6b7217ebf63998
Source of Spectrum F-45-2054-43
Wiley ID 1360459