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3-(Phenylsulfanyl)but-2-enoic acid methyl ester
SpectraBase Compound ID FSKkqKCiSGs
InChI InChI=1S/C11H12O2S/c1-9(8-11(12)13-2)14-10-6-4-3-5-7-10/h3-8H,1-2H3/b9-8+
InChIKey LNWWTJYGGYLSAP-CMDGGOBGSA-N
Mol Weight 208.27 g/mol
Molecular Formula C11H12O2S
Exact Mass 208.055801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 99427yhXI9C
Name 3-(Phenylsulfanyl)but-2-enoic acid methyl ester
Alternate Name(s) (E)-3-(phenylthio)-2-butenoic acid methyl ester Methyl (E)-3-phenylsulfanylbut-2-enoate
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Formula C11H12O2S
InChI InChI=1S/C11H12O2S/c1-9(8-11(12)13-2)14-10-6-4-3-5-7-10/h3-8H,1-2H3/b9-8+
InChIKey LNWWTJYGGYLSAP-CMDGGOBGSA-N
Molecular Weight 208.275 g/mol
SMILES c1(S\C(=C\C(=O)OC)C)ccccc1
SPLASH splash10-08fu-3920000000-2c9acc388158312a574a
Source of Spectrum F4-41-299-2a
Wiley ID 1671778