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1,4-Dihydro-4-phenyl-1,2,6-trimethyl-3,5-pyridinedicarboxylic acid, diethyl ester
SpectraBase Compound ID 37NcLI2XA04
InChI InChI=1S/C20H25NO4/c1-6-24-19(22)16-13(3)21(5)14(4)17(20(23)25-7-2)18(16)15-11-9-8-10-12-15/h8-12,18H,6-7H2,1-5H3
InChIKey ULYPIXORALMQAH-UHFFFAOYSA-N
Mol Weight 343.42 g/mol
Molecular Formula C20H25NO4
Exact Mass 343.178358 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID JFjtsBR8L0L
Name 1,4-Dihydro-4-phenyl-1,2,6-trimethyl-3,5-pyridinedicarboxylic acid, diethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 343.178358285 u
Formula C20H25NO4
InChI InChI=1S/C20H25NO4/c1-6-24-19(22)16-13(3)21(5)14(4)17(20(23)25-7-2)18(16)15-11-9-8-10-12-15/h8-12,18H,6-7H2,1-5H3
InChIKey ULYPIXORALMQAH-UHFFFAOYSA-N
Molecular Weight 343.423 g/mol
SMILES C=1C=CC(=CC1)C1C(=C(N(C(=C1C(=O)OCC)C)C)C)C(OCC)=O
Spectrum/Structure Validation Score (Raman) 0.817015