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1-(4-Methylphenyl)-5,5-bis(methoxycarbonyl)penten-3-one
SpectraBase Compound ID IZohhmfRPYh
InChI InChI=1S/C16H18O5/c1-11-4-6-12(7-5-11)8-9-13(17)10-14(15(18)20-2)16(19)21-3/h4-9,14H,10H2,1-3H3/b9-8+
InChIKey DHFPNZQHLSGEEA-CMDGGOBGSA-N
Mol Weight 290.31 g/mol
Molecular Formula C16H18O5
Exact Mass 290.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KRDivvjIdlt
Name 1-(4-Methylphenyl)-5,5-bis(methoxycarbonyl)penten-3-one
Alternate Name(s) 2-[(E)-4-(4-methylphenyl)-2-oxobut-3-enyl]propanedioic acid dimethyl ester Dimethyl 2-[(E)-4-(4-methylphenyl)-2-oxobut-3-enyl]propanedioate Dimethyl 2-[(E)-2-oxo-4-(p-tolyl)but-3-enyl]propanedioate Dimethyl 2-[(E)-4-(4-methylphenyl)-2-oxidanylidene-but-3-enyl]propanedioate
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Formula C16H18O5
InChI InChI=1S/C16H18O5/c1-11-4-6-12(7-5-11)8-9-13(17)10-14(15(18)20-2)16(19)21-3/h4-9,14H,10H2,1-3H3/b9-8+
InChIKey DHFPNZQHLSGEEA-CMDGGOBGSA-N
Molecular Weight 290.315 g/mol
SMILES C(C(=O)OC)(C(=O)OC)CC(\C=C\c1ccc(cc1)C)=O
SPLASH splash10-0002-1910000000-2dc33b19c4c9e1731568
Source of Spectrum U1-2011-1104-3h
Wiley ID 1664975