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L-Proline, N-(3-phenylpropionyl)-, pentyl ester

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

L-Proline, N-(3-phenylpropionyl)-, pentyl ester
SpectraBase Compound ID FToUXa2mJk5
InChI InChI=1S/C19H27NO3/c1-2-3-7-15-23-19(22)17-11-8-14-20(17)18(21)13-12-16-9-5-4-6-10-16/h4-6,9-10,17H,2-3,7-8,11-15H2,1H3
InChIKey VDGYGUPGZVSMHD-UHFFFAOYSA-N
Mol Weight 317.43 g/mol
Molecular Formula C19H27NO3
Exact Mass 317.199094 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4TDhyaKd4il
Name L-Proline, N-(3-phenylpropionyl)-, pentyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 317.199093730 u
Formula C19H27NO3
InChI InChI=1S/C19H27NO3/c1-2-3-7-15-23-19(22)17-11-8-14-20(17)18(21)13-12-16-9-5-4-6-10-16/h4-6,9-10,17H,2-3,7-8,11-15H2,1H3
InChIKey VDGYGUPGZVSMHD-UHFFFAOYSA-N
Molecular Weight 317.429 g/mol
SMILES C1=C(C=CC=C1)CCC(N1CCCC1C(=O)OCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.926932