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Methyl 2-[((E)-4-ethoxycarbonyl-but-3-enyl)]-1,3-dithiane-2-carboxylate
SpectraBase Compound ID 3mgpDc5Rn0w
InChI InChI=1S/C13H20O4S2/c1-3-17-11(14)7-4-5-8-13(12(15)16-2)18-9-6-10-19-13/h4,7H,3,5-6,8-10H2,1-2H3/b7-4+
InChIKey CWPPVHXIIRDQFQ-QPJJXVBHSA-N
Mol Weight 304.42 g/mol
Molecular Formula C13H20O4S2
Exact Mass 304.080301 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HZI0sTJTnAj
Name Methyl 2-[((E)-4-ethoxycarbonyl-but-3-enyl)]-1,3-dithiane-2-carboxylate
Alternate Name(s) (E)-methyl 2-(5-ethoxy-5-oxopent-3-en-1-yl)-1,3-dithiane-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O4S2
InChI InChI=1S/C13H20O4S2/c1-3-17-11(14)7-4-5-8-13(12(15)16-2)18-9-6-10-19-13/h4,7H,3,5-6,8-10H2,1-2H3/b7-4+
InChIKey CWPPVHXIIRDQFQ-QPJJXVBHSA-N
Literature Reference DOI 10.1002/cjoc.200690221
Molecular Weight 304.419 g/mol
SMILES C1SC(SCC1)(C(=O)OC)CC\C=C\C(=O)OCC
SPLASH splash10-0002-2590000000-ce57847592ce2c949f44
Source of Spectrum CJC-24-1188-41
Wiley ID 1774356