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Propanedioic acid, (2-bromo-2-propenyl)(3-phenyl-2-propenyl)-, diethyl ester
SpectraBase Compound ID nUr2vK5PKS
InChI InChI=1S/C19H23BrO4/c1-4-23-17(21)19(14-15(3)20,18(22)24-5-2)13-9-12-16-10-7-6-8-11-16/h6-12H,3-5,13-14H2,1-2H3/b12-9-
InChIKey IGVQUGBHMQSKAB-XFXZXTDPSA-N
Mol Weight 395.29 g/mol
Molecular Formula C19H23BrO4
Exact Mass 394.077972 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7cJixCgGcSR
Name Propanedioic acid, (2-bromo-2-propenyl)(3-phenyl-2-propenyl)-, diethyl ester
Alternate Name(s) 2-Bromo-4,4-(ethoxycarbonyl)-7-phenylhepta-1,6-diene Diethyl 2-(2-bromo-2-propenyl)-2-[(2Z)-3-phenyl-2-propenyl]malonate
CAS Registry Number 118453-20-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H23BrO4
InChI InChI=1S/C19H23BrO4/c1-4-23-17(21)19(14-15(3)20,18(22)24-5-2)13-9-12-16-10-7-6-8-11-16/h6-12H,3-5,13-14H2,1-2H3/b12-9-
InChIKey IGVQUGBHMQSKAB-XFXZXTDPSA-N
Molecular Weight 395.293 g/mol
SMILES C(C(=O)OCC)(C(=O)OCC)(CC(=C)Br)C\C=C/c1ccccc1
SPLASH splash10-016r-1980000000-d4e229429e343e200a0e
Source of Spectrum F-44-2043-18
Wiley ID 1366538