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Phenylalanine, dl, .alpha.-methyl-, N-(2-methylbutyl)-, 2-methylbutyl ester

View entire compound with spectra: 1 NMR

Phenylalanine, dl, .alpha.-methyl-, N-(2-methylbutyl)-, 2-methylbutyl ester
SpectraBase Compound ID 5StlzA9SYiq
InChI InChI=1S/C20H33NO2/c1-6-16(3)14-21-20(5,13-18-11-9-8-10-12-18)19(22)23-15-17(4)7-2/h8-12,16-17,21H,6-7,13-15H2,1-5H3
InChIKey KXCFCKJXBNBZBK-UHFFFAOYSA-N
Mol Weight 319.5 g/mol
Molecular Formula C20H33NO2
Exact Mass 319.251129 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bsp5jFRUq2r
Name Phenylalanine, dl, .alpha.-methyl-, N-(2-methylbutyl)-, 2-methylbutyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 319.251129305 u
Formula C20H33NO2
InChI InChI=1S/C20H33NO2/c1-6-16(3)14-21-20(5,13-18-11-9-8-10-12-18)19(22)23-15-17(4)7-2/h8-12,16-17,21H,6-7,13-15H2,1-5H3
InChIKey KXCFCKJXBNBZBK-UHFFFAOYSA-N
Molecular Weight 319.489 g/mol
SMILES C1(=CC=CC=C1)CC(C)(NCC(CC)C)C(=O)OCC(CC)C