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L-Phenylalanine, N-propargyloxycarbonyl-, octyl ester

View entire compound with spectra: 1 NMR

L-Phenylalanine, N-propargyloxycarbonyl-, octyl ester
SpectraBase Compound ID 66mdy0N3yDx
InChI InChI=1S/C21H29NO4/c1-3-5-6-7-8-12-16-25-20(23)19(22-21(24)26-15-4-2)17-18-13-10-9-11-14-18/h2,9-11,13-14,19H,3,5-8,12,15-17H2,1H3,(H,22,24)
InChIKey QAKOKXCDBKWYLO-UHFFFAOYSA-N
Mol Weight 359.47 g/mol
Molecular Formula C21H29NO4
Exact Mass 359.209658 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3yb9NTpy8P3
Name L-Phenylalanine, N-propargyloxycarbonyl-, octyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 359.209658414 u
Formula C21H29NO4
InChI InChI=1S/C21H29NO4/c1-3-5-6-7-8-12-16-25-20(23)19(22-21(24)26-15-4-2)17-18-13-10-9-11-14-18/h2,9-11,13-14,19H,3,5-8,12,15-17H2,1H3,(H,22,24)
InChIKey QAKOKXCDBKWYLO-UHFFFAOYSA-N
Molecular Weight 359.466 g/mol
SMILES C#CCOC(NC(C(OCCCCCCCC)=O)CC1=CC=CC=C1)=O