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

View entire compound with spectra: 1 NMR

L-Alanine, N-(3-phenylpropionyl)-, nonyl ester
SpectraBase Compound ID FulmvZO24WO
InChI InChI=1S/C21H33NO3/c1-3-4-5-6-7-8-12-17-25-21(24)18(2)22-20(23)16-15-19-13-10-9-11-14-19/h9-11,13-14,18H,3-8,12,15-17H2,1-2H3,(H,22,23)
InChIKey AUIATLFRLFMERB-UHFFFAOYSA-N
Mol Weight 347.5 g/mol
Molecular Formula C21H33NO3
Exact Mass 347.246044 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3VLJFRnpQYe
Name L-Alanine, N-(3-phenylpropionyl)-, nonyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 347.246043924 u
Formula C21H33NO3
InChI InChI=1S/C21H33NO3/c1-3-4-5-6-7-8-12-17-25-21(24)18(2)22-20(23)16-15-19-13-10-9-11-14-19/h9-11,13-14,18H,3-8,12,15-17H2,1-2H3,(H,22,23)
InChIKey AUIATLFRLFMERB-UHFFFAOYSA-N
Molecular Weight 347.499 g/mol
SMILES C1=CC=CC=C1CCC(NC(C)C(OCCCCCCCCC)=O)=O