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2-[1,3]Dithian-2-ylidene-3-oxo-pentanoic acid ethyl ester
SpectraBase Compound ID E94kyKvn3N1
InChI InChI=1S/C11H16O3S2/c1-3-8(12)9(10(13)14-4-2)11-15-6-5-7-16-11/h3-7H2,1-2H3
InChIKey CFPIJNLEGXUUNX-UHFFFAOYSA-N
Mol Weight 260.37 g/mol
Molecular Formula C11H16O3S2
Exact Mass 260.054087 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2DqgHrel3a9
Name 2-[1,3]Dithian-2-ylidene-3-oxo-pentanoic acid ethyl ester
Alternate Name(s) Ethyl 2-(1,3-dithian-2-ylidene)-3-oxopentanoate Ethyl 2-(1,3-dithian-2-ylidene)-3-pentanoate Ethyl-3-oxo-2-([1,3]-dithian-2-ylidene)-3-pentanoate
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Formula C11H16O3S2
InChI InChI=1S/C11H16O3S2/c1-3-8(12)9(10(13)14-4-2)11-15-6-5-7-16-11/h3-7H2,1-2H3
InChIKey CFPIJNLEGXUUNX-UHFFFAOYSA-N
Molecular Weight 260.366 g/mol
SMILES C(=C1SCCCS1)(C(=O)OCC)C(=O)CC
SPLASH splash10-001i-0190000000-4688e9306286d8a5556d
Source of Spectrum F-53-17156-10
Wiley ID 804957