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(E)-3-Phenyliodonio-4-benzylaminopent-3-en-2-one tosylater
SpectraBase Compound ID BQlcsvStISe
InChI InChI=1S/C18H18INO.C7H8O3S/c1-14(20-13-16-9-5-3-6-10-16)18(15(2)21)19-17-11-7-4-8-12-17;1-6-2-4-7(5-3-6)11(8,9)10/h3-12H,13H2,1-2H3;2-5H,1H3,(H,8,9,10)
InChIKey AIOQOIMZXAEMRN-UHFFFAOYSA-N
Mol Weight 563.45 g/mol
Molecular Formula C25H26INO4S
Exact Mass 563.062724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9wiulWmXw3W
Name (E)-3-Phenyliodonio-4-benzylaminopent-3-en-2-one tosylater
Alternate Name(s) 4-Methylbenzenesulfonate;[(E)-4-oxo-2-[(phenylmethyl)amino]pent-2-en-3-yl]-phenyliodonium [(E)-2-(benzylamino)-4-oxopent-2-en-3-yl]-phenyliodanium;4-methylbenzenesulfonate [(E)-1-acetyl-2-(benzylamino)prop-1-enyl]-phenyl-iodonium;4-methylbenzenesulfonate 4-Methylbenzenesulfonate;[(E)-4-oxidanylidene-2-[(phenylmethyl)amino]pent-2-en-3-yl]-phenyl-iodanium
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Formula C25H26INO4S
InChI InChI=1S/C18H18INO.C7H8O3S/c1-14(20-13-16-9-5-3-6-10-16)18(15(2)21)19-17-11-7-4-8-12-17;1-6-2-4-7(5-3-6)11(8,9)10/h3-12H,13H2,1-2H3;2-5H,1H3,(H,8,9,10)
InChIKey AIOQOIMZXAEMRN-UHFFFAOYSA-N
Molecular Weight 563.450 g/mol
SMILES N(\C(=C/([I+]c1ccccc1)C(=O)C)C)Cc1ccccc1.c1(S([O-])(=O)=O)ccc(cc1)C
SPLASH splash10-052f-8900000000-bd2a3c82111c93643860
Source of Spectrum CV-0-390-6
Wiley ID 849363