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

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

L-Proline, N-(3-phenylpropionyl)-, dodecyl ester
SpectraBase Compound ID GIXeRdAhmti
InChI InChI=1S/C26H41NO3/c1-2-3-4-5-6-7-8-9-10-14-22-30-26(29)24-18-15-21-27(24)25(28)20-19-23-16-12-11-13-17-23/h11-13,16-17,24H,2-10,14-15,18-22H2,1H3
InChIKey RLDVFDZRJKOSIF-UHFFFAOYSA-N
Mol Weight 415.6 g/mol
Molecular Formula C26H41NO3
Exact Mass 415.308644 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ARDEaK9xHrr
Name L-Proline, N-(3-phenylpropionyl)-, dodecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 415.308644181 u
Formula C26H41NO3
InChI InChI=1S/C26H41NO3/c1-2-3-4-5-6-7-8-9-10-14-22-30-26(29)24-18-15-21-27(24)25(28)20-19-23-16-12-11-13-17-23/h11-13,16-17,24H,2-10,14-15,18-22H2,1H3
InChIKey RLDVFDZRJKOSIF-UHFFFAOYSA-N
Molecular Weight 415.618 g/mol
SMILES C1=C(C=CC=C1)CCC(N1CCCC1C(=O)OCCCCCCCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.894011