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Ethyl (E)-2-Phenyliodonio-3-methylaminocrotonate tosylater
SpectraBase Compound ID 3AsRHLI4RWf
InChI InChI=1S/C13H16INO2.C7H8O3S/c1-4-17-13(16)12(10(2)15-3)14-11-8-6-5-7-9-11;1-6-2-4-7(5-3-6)11(8,9)10/h5-9H,4H2,1-3H3;2-5H,1H3,(H,8,9,10)
InChIKey OBMUOBWMTAPZAQ-UHFFFAOYSA-N
Mol Weight 517.38 g/mol
Molecular Formula C20H24INO5S
Exact Mass 517.041989 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Asxg1hTZHSo
Name Ethyl (E)-2-Phenyliodonio-3-methylaminocrotonate tosylater
Alternate Name(s) (E)-1-Ethoxy-1-oxo-2-phenyliodonio-3-methylaminobut-2-enyl tosylate salt [(E)-1-ethoxy-3-(methylamino)-1-oxobut-2-en-2-yl]-phenyliodonium;4-methylbenzenesulfonate [(E)-1-ethoxy-3-(methylamino)-1-oxobut-2-en-2-yl]-phenyliodanium;4-methylbenzenesulfonate [(E)-1-ethoxycarbonyl-2-(methylamino)prop-1-enyl]-phenyl-iodonium;4-methylbenzenesulfonate [(E)-1-ethoxy-3-(methylamino)-1-oxidanylidene-but-2-en-2-yl]-phenyl-iodanium;4-methylbenzenesulfonate
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Formula C20H24INO5S
InChI InChI=1S/C13H16INO2.C7H8O3S/c1-4-17-13(16)12(10(2)15-3)14-11-8-6-5-7-9-11;1-6-2-4-7(5-3-6)11(8,9)10/h5-9H,4H2,1-3H3;2-5H,1H3,(H,8,9,10)
InChIKey OBMUOBWMTAPZAQ-UHFFFAOYSA-N
Molecular Weight 517.378 g/mol
SMILES N(\C(=C/([I+]c1ccccc1)C(=O)OCC)C)C.c1(S([O-])(=O)=O)ccc(C)cc1
SPLASH splash10-000f-9800000000-a472909ab561ac645b1f
Source of Spectrum CV-0-390-6
Wiley ID 872640