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2-Ethyl-2-(3-phenylsulfanylallyl)-malonic acid dimethyl ester
SpectraBase Compound ID BXtrOGY6IJd
InChI InChI=1S/C16H20O4S/c1-4-16(14(17)19-2,15(18)20-3)11-8-12-21-13-9-6-5-7-10-13/h5-10,12H,4,11H2,1-3H3/b12-8+
InChIKey NZTOIFLOQZHZOV-XYOKQWHBSA-N
Mol Weight 308.39 g/mol
Molecular Formula C16H20O4S
Exact Mass 308.10823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID hFnKaQwpE
Name 2-Ethyl-2-(3-phenylsulfanylallyl)-malonic acid dimethyl ester
Alternate Name(s) (E)-dimethyl 2-ethyl-2-(3-(phenylthio)allyl)malonate
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Formula C16H20O4S
InChI InChI=1S/C16H20O4S/c1-4-16(14(17)19-2,15(18)20-3)11-8-12-21-13-9-6-5-7-10-13/h5-10,12H,4,11H2,1-3H3/b12-8+
InChIKey NZTOIFLOQZHZOV-XYOKQWHBSA-N
Literature Reference DOI 10.1002/adsc.200505211
Molecular Weight 308.392 g/mol
SMILES C(C(C(=O)OC)(C\C=C\Sc1ccccc1)CC)(=O)OC
SPLASH splash10-05mt-2900000000-ee40e3438c479c6ec0c4
Source of Spectrum ASC-347-1587/SM13-4i
Wiley ID 1767778