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L-Isoleucine, N-isobutoxycarbonyl-, pentadecyl ester

View entire compound with spectra: 1 NMR

L-Isoleucine, N-isobutoxycarbonyl-, pentadecyl ester
SpectraBase Compound ID 2zhEV4Jw6dv
InChI InChI=1S/C26H51NO4/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-30-25(28)24(23(5)7-2)27-26(29)31-21-22(3)4/h22-24H,6-21H2,1-5H3,(H,27,29)
InChIKey WVFAYUSRHPBNJZ-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 EY0rXoLryuG
Name L-Isoleucine, N-isobutoxycarbonyl-, pentadecyl 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/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-30-25(28)24(23(5)7-2)27-26(29)31-21-22(3)4/h22-24H,6-21H2,1-5H3,(H,27,29)
InChIKey WVFAYUSRHPBNJZ-UHFFFAOYSA-N
Molecular Weight 441.697 g/mol
SMILES CC(C)COC(NC(C(OCCCCCCCCCCCCCCC)=O)C(CC)C)=O