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l-Phenylalanine, N-isobutoxycarbonyl-, pentyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

l-Phenylalanine, N-isobutoxycarbonyl-, pentyl ester
SpectraBase Compound ID EAMgWhJSM4t
InChI InChI=1S/C19H29NO4/c1-4-5-9-12-23-18(21)17(13-16-10-7-6-8-11-16)20-19(22)24-14-15(2)3/h6-8,10-11,15,17H,4-5,9,12-14H2,1-3H3,(H,20,22)
InChIKey HAEGZHHJINGCMB-UHFFFAOYSA-N
Mol Weight 335.44 g/mol
Molecular Formula C19H29NO4
Exact Mass 335.209658 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G9HWFWhXmkP
Name L-Phenylalanine, N-isobutoxycarbonyl-, pentyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 335.209658414 u
Formula C19H29NO4
InChI InChI=1S/C19H29NO4/c1-4-5-9-12-23-18(21)17(13-16-10-7-6-8-11-16)20-19(22)24-14-15(2)3/h6-8,10-11,15,17H,4-5,9,12-14H2,1-3H3,(H,20,22)
InChIKey HAEGZHHJINGCMB-UHFFFAOYSA-N
Molecular Weight 335.444 g/mol
SMILES CC(C)COC(NC(C(OCCCCC)=O)CC1=CC=CC=C1)=O