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Isonipecotic acid, N-(3-phenylpropionyl)-, ethyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Isonipecotic acid, N-(3-phenylpropionyl)-, ethyl ester
SpectraBase Compound ID 3PNFA7b3UA1
InChI InChI=1S/C17H23NO3/c1-2-21-17(20)15-10-12-18(13-11-15)16(19)9-8-14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3
InChIKey JJWKHNYMWXFXJG-UHFFFAOYSA-N
Mol Weight 289.38 g/mol
Molecular Formula C17H23NO3
Exact Mass 289.167794 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JYdA0ndH2ky
Name Isonipecotic acid, N-(3-phenylpropionyl)-, ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 289.167793602 u
Formula C17H23NO3
InChI InChI=1S/C17H23NO3/c1-2-21-17(20)15-10-12-18(13-11-15)16(19)9-8-14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3
InChIKey JJWKHNYMWXFXJG-UHFFFAOYSA-N
SMILES C1=CC=C(C=C1)CCC(N1CCC(C(OCC)=O)CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.875721