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(E)-(R)-5-Iodo-2-phenyl-1-pentenyl p-tolyl sulfoxide
SpectraBase Compound ID 47Tz9C40Tu8
InChI InChI=1S/C18H19IOS/c1-15-9-11-18(12-10-15)21(20)14-17(8-5-13-19)16-6-3-2-4-7-16/h2-4,6-7,9-12,14H,5,8,13H2,1H3/b17-14+
InChIKey XDVROHWHASZRFW-SAPNQHFASA-N
Mol Weight 410.31 g/mol
Molecular Formula C18H19IOS
Exact Mass 410.020131 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LkMojeXZGAL
Name (E)-(R)-5-Iodo-2-phenyl-1-pentenyl p-tolyl sulfoxide
Alternate Name(s) (1E)-5-iodo-2-phenyl-1-pentenyl 4-methylphenyl sulfoxide 1-{[(1E)-5-iodo-2-phenyl-1-pentenyl]sulfinyl}-4-methylbenzene
Comments Less than 3 mono-isotopic peaks
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Formula C18H19IOS
InChI InChI=1S/C18H19IOS/c1-15-9-11-18(12-10-15)21(20)14-17(8-5-13-19)16-6-3-2-4-7-16/h2-4,6-7,9-12,14H,5,8,13H2,1H3/b17-14+
InChIKey XDVROHWHASZRFW-SAPNQHFASA-N
Molecular Weight 410.313 g/mol
SMILES c1(\C(=C\[S@](c2ccc(cc2)C)=O)CCCI)ccccc1
SPLASH splash10-03di-0009100000-8d18cf5ba9623d9c3dc5
Source of Spectrum F-56-7939-39
Wiley ID 858722