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(E)-3-Phenyliodonio-4-methylaminopent-3-en-2-one tosylater
SpectraBase Compound ID INFU6dAeCZz
InChI InChI=1S/C12H14INO.C7H8O3S/c1-9(14-3)12(10(2)15)13-11-7-5-4-6-8-11;1-6-2-4-7(5-3-6)11(8,9)10/h4-8H,1-3H3;2-5H,1H3,(H,8,9,10)
InChIKey ZZHCXHXAJROCCF-UHFFFAOYSA-N
Mol Weight 487.35 g/mol
Molecular Formula C19H22INO4S
Exact Mass 487.031424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5jUorhSSmDn
Name (E)-3-Phenyliodonio-4-methylaminopent-3-en-2-one tosylater
Comments Note: The molecular formula of the structure shown is C19H22INO4S - which differs from the formula reported for the mass spectrum (C24H24INO4S)
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Formula C24H24INO4S
InChI InChI=1S/C12H14INO.C7H8O3S/c1-9(14-3)12(10(2)15)13-11-7-5-4-6-8-11;1-6-2-4-7(5-3-6)11(8,9)10/h4-8H,1-3H3;2-5H,1H3,(H,8,9,10)
InChIKey ZZHCXHXAJROCCF-UHFFFAOYSA-N
Molecular Weight 487.352 g/mol
SMILES N(\C(=C/([I+]c1ccccc1)C(C)=O)C)C.c1(S([O-])(=O)=O)ccc(C)cc1
SPLASH splash10-0006-9200000000-16715b5694bcf2b44b56
Source of Spectrum CV-0-390-6
Synonyms (E)-3-Phenyliodonio-4-methylaminopent-3-en-2-one tosylate
Wiley ID 849358