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2-(5-Phenylpenta-1,4-dien-3-yl)malonate
SpectraBase Compound ID 72zIYVWrM9n
InChI InChI=1S/C16H18O4/c1-4-13(11-10-12-8-6-5-7-9-12)14(15(17)19-2)16(18)20-3/h4-11,13-14H,1H2,2-3H3/b11-10+
InChIKey QTIJTUKRXGYXHC-ZHACJKMWSA-N
Mol Weight 274.32 g/mol
Molecular Formula C16H18O4
Exact Mass 274.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BeuKPxpbSPn
Name 2-(5-Phenylpenta-1,4-dien-3-yl)malonate
Alternate Name(s) 1,3-Dimethyl-2-(5-Phenylpenta-1,4-dien-3-yl)malonate 2-[(1E)-1-phenylpenta-1,4-dien-3-yl]propanedioic acid dimethyl ester Dimethyl 2-[(E)-3-phenyl-1-vinyl-allyl]propanedioate Dimethyl 2-[(1E)-1-phenylpenta-1,4-dien-3-yl]propanedioate
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Formula C16H18O4
InChI InChI=1S/C16H18O4/c1-4-13(11-10-12-8-6-5-7-9-12)14(15(17)19-2)16(18)20-3/h4-11,13-14H,1H2,2-3H3/b11-10+
InChIKey QTIJTUKRXGYXHC-ZHACJKMWSA-N
Molecular Weight 274.316 g/mol
SMILES C(C(=O)OC)(C(=O)OC)C(\C=C\c1ccccc1)C=C
SPLASH splash10-004i-4910000000-2d2ba2e8a394ec836506
Source of Spectrum C-115-6613-13
Wiley ID 1278258