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(E)-3-Iodo-4-(4-tolylsulfonyl)-hex-3-ene
SpectraBase Compound ID QFyaDavnOi
InChI InChI=1S/C13H17IO2S/c1-4-12(14)13(5-2)17(15,16)11-8-6-10(3)7-9-11/h6-9H,4-5H2,1-3H3/b13-12+
InChIKey RKXHXTZXHRZLGX-OUKQBFOZSA-N
Mol Weight 364.24 g/mol
Molecular Formula C13H17IO2S
Exact Mass 363.999396 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GrXmxVxgLoa
Name 1-[(E)-1-ethyl-2-iodo-but-1-enyl]sulfonyl-4-methyl-benzene
CAS Registry Number 112701-56-1
Comments Less than 3 mono-isotopic peaks
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Formula C13H17IO2S
InChI InChI=1S/C13H17IO2S/c1-4-12(14)13(5-2)17(15,16)11-8-6-10(3)7-9-11/h6-9H,4-5H2,1-3H3/b13-12+
InChIKey RKXHXTZXHRZLGX-OUKQBFOZSA-N
Molecular Weight 364.241 g/mol
SMILES C(\C(=C\(S(c1ccc(cc1)C)(=O)=O)CC)I)C
SPLASH splash10-0a4i-0900000000-dfe2092e9b76c5799c83
Source of Spectrum KC-1987-1019-2
Synonyms 1-[(E)-4-iodanylhex-3-en-3-yl]sulfonyl-4-methyl-benzene 1-[(E)-4-iodohex-3-en-3-yl]sulfonyl-4-methylbenzene
Wiley ID 1350481