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1,4-Cyclohexadiene-1-propanoic acid, 4-methoxy-2-methyl-, methyl ester
SpectraBase Compound ID F5v7Jtx7cAh
InChI InChI=1S/C12H18O3/c1-9-8-11(14-2)6-4-10(9)5-7-12(13)15-3/h6H,4-5,7-8H2,1-3H3
InChIKey NZKINESPOXUDLB-UHFFFAOYSA-N
Mol Weight 210.27 g/mol
Molecular Formula C12H18O3
Exact Mass 210.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9LSOjze9jNM
Name 1,4-Cyclohexadiene-1-propanoic acid, 4-methoxy-2-methyl-, methyl ester
CAS Registry Number 86786-21-2
Comments Less than 3 mono-isotopic peaks
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Formula C12H18O3
InChI InChI=1S/C12H18O3/c1-9-8-11(14-2)6-4-10(9)5-7-12(13)15-3/h6H,4-5,7-8H2,1-3H3
InChIKey NZKINESPOXUDLB-UHFFFAOYSA-N
Molecular Weight 210.273 g/mol
SMILES C1(=C(CC=C(C1)OC)CCC(=O)OC)C
SPLASH splash10-00di-0930000000-fd98df7a010025af738f
Source of Spectrum KC-1983-628-0
Synonyms methyl 3-(4-methoxy-2-methyl-1,4-cyclohexadien-1-yl)propanoate Methyl 3-(4-methoxy-7-methylcyclohexa-1,4-dienyl)propionate
Wiley ID 1209144