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2-[(E)-3-phenylprop-2-enyl]propanedioic acid dimethyl ester
SpectraBase Compound ID 5cQwQ1KBm1F
InChI InChI=1S/C14H16O4/c1-17-13(15)12(14(16)18-2)10-6-9-11-7-4-3-5-8-11/h3-9,12H,10H2,1-2H3/b9-6+
InChIKey ZVAUCRDQDHSXBG-RMKNXTFCSA-N
Mol Weight 248.28 g/mol
Molecular Formula C14H16O4
Exact Mass 248.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CynLNdmEmVw
Name 2-[(E)-3-phenylprop-2-enyl]propanedioic acid dimethyl ester
Alternate Name(s) 2-[(E)-cinnamyl]malonic acid dimethyl ester Dimethyl 2-[(E)-3-phenylprop-2-enyl]propanedioate Dimethyl 2-[(E)-cinnamyl]propanedioate
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Formula C14H16O4
InChI InChI=1S/C14H16O4/c1-17-13(15)12(14(16)18-2)10-6-9-11-7-4-3-5-8-11/h3-9,12H,10H2,1-2H3/b9-6+
InChIKey ZVAUCRDQDHSXBG-RMKNXTFCSA-N
Molecular Weight 248.278 g/mol
SMILES C(C(=O)OC)(C(=O)OC)C\C=C\c1ccccc1
SPLASH splash10-00or-0910000000-f1279b9d346afb1d7312
Source of Spectrum QC-26-1364-8
Wiley ID 1584547