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Nonanoic acid, 5-[iodo(methylthio)methylene]-, ethyl ester, (Z)-
SpectraBase Compound ID Jq07H1hDl9e
InChI InChI=1S/C13H23IO2S/c1-4-6-8-11(13(14)17-3)9-7-10-12(15)16-5-2/h4-10H2,1-3H3/b13-11+
InChIKey SOYPRZAJWBXVHR-ACCUITESSA-N
Mol Weight 370.29 g/mol
Molecular Formula C13H23IO2S
Exact Mass 370.046346 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H7cjUUSH4tV
Name Nonanoic acid, 5-[iodo(methylthio)methylene]-, ethyl ester, (Z)-
Alternate Name(s) (Z)-Ethyl 5-butyl-6-iodo-6-(methylthio)-5-hexenoate Ethyl (5Z)-5-butyl-6-iodo-6-(methylsulfanyl)-5-hexenoate
CAS Registry Number 134629-11-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H23IO2S
InChI InChI=1S/C13H23IO2S/c1-4-6-8-11(13(14)17-3)9-7-10-12(15)16-5-2/h4-10H2,1-3H3/b13-11+
InChIKey SOYPRZAJWBXVHR-ACCUITESSA-N
Molecular Weight 370.289 g/mol
SMILES C(\C(=C\(SC)I)CCCC)CCC(=O)OCC
SPLASH splash10-0a4m-5920000000-3d0fffbe67719bf5ded5
Source of Spectrum C-113-5740-7
Wiley ID 1353939