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Dimethyl 2-(4-bromobenzyl)-2-[2-(4-bromophenyl)-2-oxoethyl]malonate

View entire compound with spectra: 4 NMR

Dimethyl 2-(4-bromobenzyl)-2-[2-(4-bromophenyl)-2-oxoethyl]malonate
SpectraBase Compound ID 4DnWaNYzSBI
InChI InChI=1S/C20H18Br2O5/c1-26-18(24)20(19(25)27-2,11-13-3-7-15(21)8-4-13)12-17(23)14-5-9-16(22)10-6-14/h3-10H,11-12H2,1-2H3
InChIKey NCESUPIPKMXPOE-UHFFFAOYSA-N
Mol Weight 498.17 g/mol
Molecular Formula C20H18Br2O5
Exact Mass 495.9521 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9m8MHOs3WaB
Name Dimethyl 2-(4-bromobenzyl)-2-[2-(4-bromophenyl)-2-oxoethyl]malonate
Comments Computed using HOSE algorithm
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Exact Mass 495.952099675 u
Formula C20H18Br2O5
InChI InChI=1S/C20H18Br2O5/c1-26-18(24)20(19(25)27-2,11-13-3-7-15(21)8-4-13)12-17(23)14-5-9-16(22)10-6-14/h3-10H,11-12H2,1-2H3
InChIKey NCESUPIPKMXPOE-UHFFFAOYSA-N
Molecular Weight 498.167 g/mol
SMILES C(CC(C1=CC=C(C=C1)Br)=O)(C(=O)OC)(C(=O)OC)CC=1C=CC(=CC1)Br