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2-(3-Carboethoxyphenyl)-1,3-dithiane
SpectraBase Compound ID EeksNXy6V3T
InChI InChI=1S/C13H16O2S2/c1-2-15-12(14)10-5-3-6-11(9-10)13-16-7-4-8-17-13/h3,5-6,9,13H,2,4,7-8H2,1H3
InChIKey JHHIGGOVPCZKGR-UHFFFAOYSA-N
Mol Weight 268.39 g/mol
Molecular Formula C13H16O2S2
Exact Mass 268.059172 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IbZz0Zm2BE6
Name 2-(3-Carboethoxyphenyl)-1,3-dithiane
Alternate Name(s) Ethyl 3-(1,3-dithian-2-yl)benzoate
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Formula C13H16O2S2
InChI InChI=1S/C13H16O2S2/c1-2-15-12(14)10-5-3-6-11(9-10)13-16-7-4-8-17-13/h3,5-6,9,13H,2,4,7-8H2,1H3
InChIKey JHHIGGOVPCZKGR-UHFFFAOYSA-N
Molecular Weight 268.389 g/mol
SMILES C1(c2cc(C(=O)OCC)ccc2)SCCCS1
SPLASH splash10-00xs-4950000000-5cfa167f8ba6aa3c2cb5
Source of Spectrum QB-13-446-0
Wiley ID 840995