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(E)-(R)-5-Iodo-1-hexenyl p-tolyl sulfoxide
SpectraBase Compound ID 4KOSqQT2fJF
InChI InChI=1S/C13H17IOS/c1-11-6-8-13(9-7-11)16(15)10-4-3-5-12(2)14/h4,6-10,12H,3,5H2,1-2H3/b10-4+
InChIKey KPKDRIIBBPRGIK-ONNFQVAWSA-N
Mol Weight 348.24 g/mol
Molecular Formula C13H17IOS
Exact Mass 348.004481 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Y1kLeG56h1
Name (E)-(R)-5-Iodo-1-hexenyl p-tolyl sulfoxide
Alternate Name(s) (1E)-5-iodo-1-hexenyl 4-methylphenyl sulfoxide 1-{[(1E)-5-iodo-1-hexenyl]sulfinyl}-4-methylbenzene
Comments Less than 3 mono-isotopic peaks
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Formula C13H17IOS
InChI InChI=1S/C13H17IOS/c1-11-6-8-13(9-7-11)16(15)10-4-3-5-12(2)14/h4,6-10,12H,3,5H2,1-2H3/b10-4+
InChIKey KPKDRIIBBPRGIK-ONNFQVAWSA-N
Molecular Weight 348.242 g/mol
SMILES c1([S@@](\C=C\CCC(I)C)=O)ccc(cc1)C
SPLASH splash10-0udi-0009000000-9495acbbe285eb87220d
Source of Spectrum F-56-7935-17
Wiley ID 858737