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(+/-)-dimethyl 2,2-bis(4-(3-chlorophenyl)buta-2,3-dienyl)malonate
SpectraBase Compound ID GpMCz5zDH0a
InChI InChI=1S/C25H22Cl2O4/c1-30-23(28)25(24(29)31-2,15-5-3-9-19-11-7-13-21(26)17-19)16-6-4-10-20-12-8-14-22(27)18-20/h5-14,17-18H,15-16H2,1-2H3
InChIKey PEMPLWKDHIDENZ-UHFFFAOYSA-N
Mol Weight 457.35 g/mol
Molecular Formula C25H22Cl2O4
Exact Mass 456.089515 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8WF7UJglFX5
Name (+/-)-dimethyl 2,2-bis(4-(3-chlorophenyl)buta-2,3-dienyl)malonate
Appearance Liquid
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Formula C25H22Cl2O4
InChI InChI=1S/C25H22Cl2O4/c1-30-23(28)25(24(29)31-2,15-5-3-9-19-11-7-13-21(26)17-19)16-6-4-10-20-12-8-14-22(27)18-20/h5-14,17-18H,15-16H2,1-2H3
InChIKey PEMPLWKDHIDENZ-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/cjoc.202000300
Molecular Weight 457.353 g/mol
Reported Formula C25H22(35,35)Cl2O4
SMILES C(OC)(=O)C(CC=C=Cc1cc(ccc1)Cl)(CC=C=Cc1cccc(c1)Cl)C(=O)OC
SPLASH splash10-0002-0900000000-1a3009dc8f68247626db
Source of Spectrum CJC-38-SM25-(+/-)-4ea
Wiley ID 1856151