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2,2-bis(2,5-Dimethoxybenzyl)malonic acid diethyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

2,2-bis(2,5-Dimethoxybenzyl)malonic acid diethyl ester
SpectraBase Compound ID AlIBKH9MJYE
InChI InChI=1S/C25H32O8/c1-7-32-23(26)25(24(27)33-8-2,15-17-13-19(28-3)9-11-21(17)30-5)16-18-14-20(29-4)10-12-22(18)31-6/h9-14H,7-8,15-16H2,1-6H3
InChIKey OYIQPMDCNFFOFX-UHFFFAOYSA-N
Mol Weight 460.5 g/mol
Molecular Formula C25H32O8
Exact Mass 460.209718 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8eG1f0twPq7
Name 2,2-bis(2,5-Dimethoxybenzyl)malonic acid diethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 460.209717982 u
Formula C25H32O8
InChI InChI=1S/C25H32O8/c1-7-32-23(26)25(24(27)33-8-2,15-17-13-19(28-3)9-11-21(17)30-5)16-18-14-20(29-4)10-12-22(18)31-6/h9-14H,7-8,15-16H2,1-6H3
InChIKey OYIQPMDCNFFOFX-UHFFFAOYSA-N
Molecular Weight 460.523 g/mol
SMILES C(CC=1C(=CC=C(C1)OC)OC)(CC=1C(=CC=C(C1)OC)OC)(C(=O)OCC)C(=O)OCC