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Dimethyl 1-(4-chlorobenzyl)-4-(3-methoxyphenyl)-1,4-dihydro-3,5-pyridinedicarboxylate

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Dimethyl 1-(4-chlorobenzyl)-4-(3-methoxyphenyl)-1,4-dihydro-3,5-pyridinedicarboxylate
SpectraBase Compound ID qcMhQi9LrO
InChI InChI=1S/C23H22ClNO5/c1-28-18-6-4-5-16(11-18)21-19(22(26)29-2)13-25(14-20(21)23(27)30-3)12-15-7-9-17(24)10-8-15/h4-11,13-14,21H,12H2,1-3H3
InChIKey TUCHJTPPLFVBSG-UHFFFAOYSA-N
Mol Weight 427.88 g/mol
Molecular Formula C23H22ClNO5
Exact Mass 427.118651 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9OH9nHEULb1
Name Dimethyl 1-(4-chlorobenzyl)-4-(3-methoxyphenyl)-1,4-dihydro-3,5-pyridinedicarboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 427.118650507 u
Formula C23H22ClNO5
InChI InChI=1S/C23H22ClNO5/c1-28-18-6-4-5-16(11-18)21-19(22(26)29-2)13-25(14-20(21)23(27)30-3)12-15-7-9-17(24)10-8-15/h4-11,13-14,21H,12H2,1-3H3
InChIKey TUCHJTPPLFVBSG-UHFFFAOYSA-N
Molecular Weight 427.884 g/mol
SMILES C=1(C(C(C(=O)OC)=CN(C1)CC=1C=CC(=CC1)Cl)C=1C=C(OC)C=CC1)C(=O)OC