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(Ra,Ra)-dimethyl 2,2-bis(4-(4-bromophenyl)buta-2,3-dienyl)malonate
SpectraBase Compound ID F2AH3EWaeDg
InChI InChI=1S/C25H22Br2O4/c1-30-23(28)25(24(29)31-2,17-5-3-7-19-9-13-21(26)14-10-19)18-6-4-8-20-11-15-22(27)16-12-20/h5-16H,17-18H2,1-2H3
InChIKey FLNNCGFTQAWQAK-UHFFFAOYSA-N
Mol Weight 546.26 g/mol
Molecular Formula C25H22Br2O4
Exact Mass 543.988485 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FFyXte3wCCB
Name (+/-)-dimethyl 2,2-bis(4-(4-bromophenyl)buta-2,3-dienyl)malonate
Appearance Liquid
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Formula C25H22Br2O4
InChI InChI=1S/C25H22Br2O4/c1-30-23(28)25(24(29)31-2,17-5-3-7-19-9-13-21(26)14-10-19)18-6-4-8-20-11-15-22(27)16-12-20/h5-16H,17-18H2,1-2H3
InChIKey FLNNCGFTQAWQAK-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/cjoc.202000300
Molecular Weight 546.255 g/mol
Reported Formula C25H22(79,79)Br2O4
SMILES C(OC)(=O)C(CC=C=Cc1ccc(Br)cc1)(CC=C=Cc1ccc(Br)cc1)C(=O)OC
SPLASH splash10-0002-0900000000-1a3009dc8f68247626db
Source of Spectrum CJC-38-SM24-(+/-)-4fa
Wiley ID 1856152