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L-Alanine, N-(3-phenylpropionyl)-, decyl ester

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

L-Alanine, N-(3-phenylpropionyl)-, decyl ester
SpectraBase Compound ID He4YysPSNNi
InChI InChI=1S/C22H35NO3/c1-3-4-5-6-7-8-9-13-18-26-22(25)19(2)23-21(24)17-16-20-14-11-10-12-15-20/h10-12,14-15,19H,3-9,13,16-18H2,1-2H3,(H,23,24)
InChIKey SXOGTIVWGMPJPC-UHFFFAOYSA-N
Mol Weight 361.5 g/mol
Molecular Formula C22H35NO3
Exact Mass 361.261694 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JkDaycPihXA
Name L-Alanine, N-(3-phenylpropionyl)-, decyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 361.261693988 u
Formula C22H35NO3
InChI InChI=1S/C22H35NO3/c1-3-4-5-6-7-8-9-13-18-26-22(25)19(2)23-21(24)17-16-20-14-11-10-12-15-20/h10-12,14-15,19H,3-9,13,16-18H2,1-2H3,(H,23,24)
InChIKey SXOGTIVWGMPJPC-UHFFFAOYSA-N
Molecular Weight 361.526 g/mol
SMILES C1=CC=CC=C1CCC(NC(C(OCCCCCCCCCC)=O)C)=O