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L-Isoleucine, N-neopentyloxycarbonyl-, tetradecyl ester

View entire compound with spectra: 1 NMR

L-Isoleucine, N-neopentyloxycarbonyl-, tetradecyl ester
SpectraBase Compound ID B6HNdJD9Ngu
InChI InChI=1S/C26H51NO4/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-30-24(28)23(22(3)8-2)27-25(29)31-21-26(4,5)6/h22-23H,7-21H2,1-6H3,(H,27,29)
InChIKey YHFXYXIKTXLLFX-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 5rucwj8AGao
Name L-Isoleucine, N-neopentyloxycarbonyl-, tetradecyl 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/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-30-24(28)23(22(3)8-2)27-25(29)31-21-26(4,5)6/h22-23H,7-21H2,1-6H3,(H,27,29)
InChIKey YHFXYXIKTXLLFX-UHFFFAOYSA-N
Molecular Weight 441.697 g/mol
SMILES CCCCCCCCCCCCCCOC(C(NC(OCC(C)(C)C)=O)C(C)CC)=O