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

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

L-Proline, N-(3-phenylpropionyl)-, undecyl ester
SpectraBase Compound ID 9deKveckrfS
InChI InChI=1S/C25H39NO3/c1-2-3-4-5-6-7-8-9-13-21-29-25(28)23-17-14-20-26(23)24(27)19-18-22-15-11-10-12-16-22/h10-12,15-16,23H,2-9,13-14,17-21H2,1H3
InChIKey DBUFRBPFHMMVFU-UHFFFAOYSA-N
Mol Weight 401.6 g/mol
Molecular Formula C25H39NO3
Exact Mass 401.292994 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1WnhIyMDDQ7
Name L-Proline, N-(3-phenylpropionyl)-, undecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 401.292994117 u
Formula C25H39NO3
InChI InChI=1S/C25H39NO3/c1-2-3-4-5-6-7-8-9-13-21-29-25(28)23-17-14-20-26(23)24(27)19-18-22-15-11-10-12-16-22/h10-12,15-16,23H,2-9,13-14,17-21H2,1H3
InChIKey DBUFRBPFHMMVFU-UHFFFAOYSA-N
Molecular Weight 401.591 g/mol
SMILES C1=C(C=CC=C1)CCC(N1CCCC1C(=O)OCCCCCCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.855376