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1,3-Diphenyl-4-(1',1'-bis(ethoxycarbonyl)ethyl)-4-penten-2-one
SpectraBase Compound ID KV0oNnEakQk
InChI InChI=1S/C25H28O5/c1-5-29-23(27)25(4,24(28)30-6-2)18(3)22(20-15-11-8-12-16-20)21(26)17-19-13-9-7-10-14-19/h7-16,22H,3,5-6,17H2,1-2,4H3
InChIKey JSJKUAURZDPMCT-UHFFFAOYSA-N
Mol Weight 408.49 g/mol
Molecular Formula C25H28O5
Exact Mass 408.193674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FQlzwOWhc1p
Name 1,3-Diphenyl-4-(1',1'-bis(ethoxycarbonyl)ethyl)-4-penten-2-one
Comments Less than 3 mono-isotopic peaks
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Formula C25H28O5
InChI InChI=1S/C25H28O5/c1-5-29-23(27)25(4,24(28)30-6-2)18(3)22(20-15-11-8-12-16-20)21(26)17-19-13-9-7-10-14-19/h7-16,22H,3,5-6,17H2,1-2,4H3
InChIKey JSJKUAURZDPMCT-UHFFFAOYSA-N
Molecular Weight 408.494 g/mol
SMILES C(C(C(C(Cc1ccccc1)=O)c1ccccc1)=C)(C(=O)OCC)(C(=O)OCC)C
SPLASH splash10-0006-9000000000-29de94ac95116ce9682d
Source of Spectrum KC-61-4161-5
Synonyms diethyl 2-methyl-2-[1-(2-oxo-1,3-diphenylpropyl)vinyl]malonate
Wiley ID 1628867