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Diethyl 2-(2-N-benzyl-N-methylaminoethyl)-4-hydroxy-5-methoxybenzylmalonate

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Diethyl 2-(2-N-benzyl-N-methylaminoethyl)-4-hydroxy-5-methoxybenzylmalonate
SpectraBase Compound ID FJ0NJBvr95p
InChI InChI=1S/C25H33NO6/c1-5-31-24(28)21(25(29)32-6-2)14-20-16-23(30-4)22(27)15-19(20)12-13-26(3)17-18-10-8-7-9-11-18/h7-11,15-16,21,27H,5-6,12-14,17H2,1-4H3
InChIKey MYLMPJINJRCJPR-UHFFFAOYSA-N
Mol Weight 443.5 g/mol
Molecular Formula C25H33NO6
Exact Mass 443.230788 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C6bZVoN09pE
Name Diethyl 2-(2-N-benzyl-N-methylaminoethyl)-4-hydroxy-5-methoxybenzylmalonate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 443.230787781 u
Formula C25H33NO6
InChI InChI=1S/C25H33NO6/c1-5-31-24(28)21(25(29)32-6-2)14-20-16-23(30-4)22(27)15-19(20)12-13-26(3)17-18-10-8-7-9-11-18/h7-11,15-16,21,27H,5-6,12-14,17H2,1-4H3
InChIKey MYLMPJINJRCJPR-UHFFFAOYSA-N
Molecular Weight 443.540 g/mol
SMILES C(CC=1C=C(OC)C(O)=CC1CCN(CC1=CC=CC=C1)C)(C(OCC)=O)C(OCC)=O