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(E)-(2-Methyl-3-tosyl-1-propenyl)triphenylphosphonium iodide
SpectraBase Compound ID 6nIxhPCueu3
InChI InChI=1S/C29H28O2PS.HI/c1-24-18-20-29(21-19-24)33(30,31)23-25(2)22-32(26-12-6-3-7-13-26,27-14-8-4-9-15-27)28-16-10-5-11-17-28;/h3-22H,23H2,1-2H3;1H/q+1;/p-1/b25-22+;
InChIKey OORYBWZSQLOVOV-OSMRDGEFSA-M
Mol Weight 598.48 g/mol
Molecular Formula C29H28IO2PS
Exact Mass 598.059233 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2kYF9f4JQBU
Name (E)-(2-Methyl-3-tosyl-1-propenyl)triphenylphosphonium iodide
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Formula C29H28IO2PS
InChI InChI=1S/C29H28O2PS.HI/c1-24-18-20-29(21-19-24)33(30,31)23-25(2)22-32(26-12-6-3-7-13-26,27-14-8-4-9-15-27)28-16-10-5-11-17-28;/h3-22H,23H2,1-2H3;1H/q+1;/p-1/b25-22+;
InChIKey OORYBWZSQLOVOV-OSMRDGEFSA-M
Molecular Weight 598.479 g/mol
SMILES [I-].C(S(c1ccc(C)cc1)(=O)=O)\C(=C\[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C
SPLASH splash10-005c-6890000000-9a427ab117c152230b1e
Source of Spectrum F-48-5187-9
Synonyms {(1E)-2-methyl-3-[(4-methylphenyl)sulfonyl]-1-propenyl}(triphenyl)phosphonium iodide
Wiley ID 1409943