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(Ra)-dimethyl 2-(4-(4-bromophenyl)buta-2,3-dienyl)malonate
SpectraBase Compound ID 6un8HJTJDru
InChI InChI=1S/C15H15BrO4/c1-19-14(17)13(15(18)20-2)6-4-3-5-11-7-9-12(16)10-8-11/h4-5,7-10,13H,6H2,1-2H3
InChIKey YGOFRBDZSUBLPN-UHFFFAOYSA-N
Mol Weight 339.19 g/mol
Molecular Formula C15H15BrO4
Exact Mass 338.015372 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EIkep1G9FQW
Name (Ra)-dimethyl 2-(4-(4-bromophenyl)buta-2,3-dienyl)malonate
Appearance Liquid
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Formula C15H15BrO4
InChI InChI=1S/C15H15BrO4/c1-19-14(17)13(15(18)20-2)6-4-3-5-11-7-9-12(16)10-8-11/h4-5,7-10,13H,6H2,1-2H3
InChIKey YGOFRBDZSUBLPN-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/cjoc.202000300
Molecular Weight 339.185 g/mol
Optical Rotation [a]D20 = -223.8 (c = 0.42, CHCl3)
Reported Formula C15H15(79)BrO4
SMILES C(OC)(=O)C(CC(=[C@@]=C(c1ccc(cc1)Br)[H])[H])C(=O)OC
SPLASH splash10-004i-0900000000-588762b181cd9973d70c
Sample Comments 91% ee
Source of Spectrum CJC-38-SM33-(Ra)-3fa
Wiley ID 1856154