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L-Phenylalanine, N-(4-butylbenzoyl)-, methyl ester

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

L-Phenylalanine, N-(4-butylbenzoyl)-, methyl ester
SpectraBase Compound ID 3WWy5FdcDTy
InChI InChI=1S/C21H25NO3/c1-3-4-8-16-11-13-18(14-12-16)20(23)22-19(21(24)25-2)15-17-9-6-5-7-10-17/h5-7,9-14,19H,3-4,8,15H2,1-2H3,(H,22,23)
InChIKey AXCCLNAVUHVWCT-UHFFFAOYSA-N
Mol Weight 339.44 g/mol
Molecular Formula C21H25NO3
Exact Mass 339.183444 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6InJRM2G9NX
Name L-Phenylalanine, N-(4-butylbenzoyl)-, methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 339.183443666 u
Formula C21H25NO3
InChI InChI=1S/C21H25NO3/c1-3-4-8-16-11-13-18(14-12-16)20(23)22-19(21(24)25-2)15-17-9-6-5-7-10-17/h5-7,9-14,19H,3-4,8,15H2,1-2H3,(H,22,23)
InChIKey AXCCLNAVUHVWCT-UHFFFAOYSA-N
Molecular Weight 339.435 g/mol
SMILES CCCCC1=CC=C(C=C1)C(NC(C(OC)=O)CC=1C=CC=CC1)=O