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L-Isoleucine, N-propargyloxycarbonyl-, octadecyl ester

View entire compound with spectra: 1 NMR

L-Isoleucine, N-propargyloxycarbonyl-, octadecyl ester
SpectraBase Compound ID FzKIHcBH65j
InChI InChI=1S/C28H51NO4/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-32-27(30)26(25(4)7-3)29-28(31)33-23-6-2/h2,25-26H,5,7-24H2,1,3-4H3,(H,29,31)
InChIKey CBGQJBQDNWMLKM-UHFFFAOYSA-N
Mol Weight 465.7 g/mol
Molecular Formula C28H51NO4
Exact Mass 465.381809 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C7YXiO8cy0m
Name L-Isoleucine, N-propargyloxycarbonyl-, octadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 465.381809122 u
Formula C28H51NO4
InChI InChI=1S/C28H51NO4/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-32-27(30)26(25(4)7-3)29-28(31)33-23-6-2/h2,25-26H,5,7-24H2,1,3-4H3,(H,29,31)
InChIKey CBGQJBQDNWMLKM-UHFFFAOYSA-N
Molecular Weight 465.719 g/mol
SMILES C(NC(OCC#C)=O)(C(OCCCCCCCCCCCCCCCCCC)=O)C(C)CC