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L-Isoleucine, N-propoxycarbonyl-, hexadecyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

L-Isoleucine, N-propoxycarbonyl-, hexadecyl ester
SpectraBase Compound ID GAoSgE6PpjU
InChI InChI=1S/C26H51NO4/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-22-30-25(28)24(23(4)7-3)27-26(29)31-21-6-2/h23-24H,5-22H2,1-4H3,(H,27,29)
InChIKey UJRALXNXMFTHJV-UHFFFAOYSA-N
Mol Weight 441.7 g/mol
Molecular Formula C26H51NO4
Exact Mass 441.381809 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AuOrXnNBKGe
Name L-Isoleucine, N-propoxycarbonyl-, hexadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 441.381809122 u
Formula C26H51NO4
InChI InChI=1S/C26H51NO4/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-22-30-25(28)24(23(4)7-3)27-26(29)31-21-6-2/h23-24H,5-22H2,1-4H3,(H,27,29)
InChIKey UJRALXNXMFTHJV-UHFFFAOYSA-N
Molecular Weight 441.697 g/mol
SMILES CCCOC(NC(C(CC)C)C(OCCCCCCCCCCCCCCCC)=O)=O