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2-[2-(2-Pyridinyl)ethyl]propanedioic acid diethyl ester

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

2-[2-(2-Pyridinyl)ethyl]propanedioic acid diethyl ester
SpectraBase Compound ID GRdtwg1Ymbf
InChI InChI=1S/C14H19NO4/c1-3-18-13(16)12(14(17)19-4-2)9-8-11-7-5-6-10-15-11/h5-7,10,12H,3-4,8-9H2,1-2H3
InChIKey XVPMESFRZJJXGY-UHFFFAOYSA-N
Mol Weight 265.31 g/mol
Molecular Formula C14H19NO4
Exact Mass 265.131408 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5TQ8gJJog5k
Name 2-[2-(2-Pyridinyl)ethyl]propanedioic acid diethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 265.131408092 u
Formula C14H19NO4
InChI InChI=1S/C14H19NO4/c1-3-18-13(16)12(14(17)19-4-2)9-8-11-7-5-6-10-15-11/h5-7,10,12H,3-4,8-9H2,1-2H3
InChIKey XVPMESFRZJJXGY-UHFFFAOYSA-N
Molecular Weight 265.309 g/mol
SMILES C(C(=O)OCC)(C(=O)OCC)CCC1=NC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.951121