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3-Octenoic acid, 2-ethylidene-, methyl ester, (E,Z)-
SpectraBase Compound ID 91d8b6LJsvJ
InChI InChI=1S/C11H18O2/c1-4-6-7-8-9-10(5-2)11(12)13-3/h5,8-9H,4,6-7H2,1-3H3/b9-8-,10-5+
InChIKey XJKHXAHJRLEVIK-JMJQRBITSA-N
Mol Weight 182.26 g/mol
Molecular Formula C11H18O2
Exact Mass 182.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0SRqXTpHXc
Name 3-Octenoic acid, 2-ethylidene-, methyl ester, (E,Z)-
Alternate Name(s) (E,Z)1-methyl-2-(2'-butylethenyl)-2-methoxycarbonylethene Methyl (2E,3Z)-2-ethylidene-3-octenoate
CAS Registry Number 112151-79-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O2
InChI InChI=1S/C11H18O2/c1-4-6-7-8-9-10(5-2)11(12)13-3/h5,8-9H,4,6-7H2,1-3H3/b9-8-,10-5+
InChIKey XJKHXAHJRLEVIK-JMJQRBITSA-N
Molecular Weight 182.263 g/mol
SMILES C(\C(\C=C/CCCC)=C\C)(=O)OC
SPLASH splash10-004r-3900000000-c5e71d9d9ba52611c20a
Source of Spectrum J-53-609-0
Wiley ID 1178813