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benzyl 2,3-dimethyl-4,4-bis(methoxycarbonyl)butanedithioate
SpectraBase Compound ID 8QAgZZQEhzo
InChI InChI=1S/C17H22O4S2/c1-11(14(15(18)20-3)16(19)21-4)12(2)17(22)23-10-13-8-6-5-7-9-13/h5-9,11-12,14H,10H2,1-4H3
InChIKey VHUXWWDIWPZMIC-UHFFFAOYSA-N
Mol Weight 354.48 g/mol
Molecular Formula C17H22O4S2
Exact Mass 354.095952 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7CUY48I1NN0
Name benzyl 2,3-dimethyl-4,4-bis(methoxycarbonyl)butanedithioate
CAS Registry Number 123520-54-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22O4S2
InChI InChI=1S/C17H22O4S2/c1-11(14(15(18)20-3)16(19)21-4)12(2)17(22)23-10-13-8-6-5-7-9-13/h5-9,11-12,14H,10H2,1-4H3
InChIKey VHUXWWDIWPZMIC-UHFFFAOYSA-N
Molecular Weight 354.479 g/mol
SMILES C(C(C(C(SCc1ccccc1)=S)C)C)(C(=O)OC)C(=O)OC
SPLASH splash10-052e-9111000000-7e8fb33022ed0cb88e2b
Source of Spectrum F-45-2054-44
Synonyms Dimethyl 2-[3-(benzylsulfanyl)-1,2-dimethyl-3-thioxopropyl]malonate
Wiley ID 1344372