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L-Phenylalanine, N-allyloxycarbonyl-, heptyl ester

View entire compound with spectra: 1 NMR

L-Phenylalanine, N-allyloxycarbonyl-, heptyl ester
SpectraBase Compound ID JXHo6JBaWcE
InChI InChI=1S/C20H29NO4/c1-3-5-6-7-11-15-24-19(22)18(21-20(23)25-14-4-2)16-17-12-9-8-10-13-17/h4,8-10,12-13,18H,2-3,5-7,11,14-16H2,1H3,(H,21,23)
InChIKey BFNGAJBNQMZRRY-UHFFFAOYSA-N
Mol Weight 347.46 g/mol
Molecular Formula C20H29NO4
Exact Mass 347.209658 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AozPlSHOQfd
Name L-Phenylalanine, N-allyloxycarbonyl-, heptyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 347.209658414 u
Formula C20H29NO4
InChI InChI=1S/C20H29NO4/c1-3-5-6-7-11-15-24-19(22)18(21-20(23)25-14-4-2)16-17-12-9-8-10-13-17/h4,8-10,12-13,18H,2-3,5-7,11,14-16H2,1H3,(H,21,23)
InChIKey BFNGAJBNQMZRRY-UHFFFAOYSA-N
Molecular Weight 347.455 g/mol
SMILES C=CCOC(NC(C(OCCCCCCC)=O)CC1=CC=CC=C1)=O