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Propanedioic acid, [2-(1-methylethenyl)-2-butenyl]-, dimethyl ester, (E)-
SpectraBase Compound ID 7ZgyCEFK1qF
InChI InChI=1S/C12H18O4/c1-6-9(8(2)3)7-10(11(13)15-4)12(14)16-5/h6,10H,2,7H2,1,3-5H3/b9-6+
InChIKey KJVFXLAGLCXYCO-RMKNXTFCSA-N
Mol Weight 226.27 g/mol
Molecular Formula C12H18O4
Exact Mass 226.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BS6SfFIOmFh
Name Propanedioic acid, [2-(1-methylethenyl)-2-butenyl]-, dimethyl ester, (E)-
Alternate Name(s) Dimethyl 2-[(2E)-2-isopropenyl-2-butenyl]malonate Methyl 4-(propen-2-yl)-2-methoxycarbonyl-(E)-4-hexenoate
CAS Registry Number 109239-55-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O4
InChI InChI=1S/C12H18O4/c1-6-9(8(2)3)7-10(11(13)15-4)12(14)16-5/h6,10H,2,7H2,1,3-5H3/b9-6+
InChIKey KJVFXLAGLCXYCO-RMKNXTFCSA-N
Molecular Weight 226.272 g/mol
SMILES C(C\C(C(=C)C)=C/C)(C(=O)OC)C(=O)OC
SPLASH splash10-0a4l-8910000000-467444735cf38c4f9ec3
Source of Spectrum F-44-5817-5
Wiley ID 1227287