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L-Isoleucine, N-ethoxycarbonyl-, pentadecyl ester

View entire compound with spectra: 1 NMR

L-Isoleucine, N-ethoxycarbonyl-, pentadecyl ester
SpectraBase Compound ID J8rmPRVYard
InChI InChI=1S/C24H47NO4/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-29-23(26)22(21(4)6-2)25-24(27)28-7-3/h21-22H,5-20H2,1-4H3,(H,25,27)
InChIKey QNWRNNRMOIVYND-UHFFFAOYSA-N
Mol Weight 413.6 g/mol
Molecular Formula C24H47NO4
Exact Mass 413.350509 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9r7eiCLGNSF
Name L-Isoleucine, N-ethoxycarbonyl-, pentadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 413.350508993 u
Formula C24H47NO4
InChI InChI=1S/C24H47NO4/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-29-23(26)22(21(4)6-2)25-24(27)28-7-3/h21-22H,5-20H2,1-4H3,(H,25,27)
InChIKey QNWRNNRMOIVYND-UHFFFAOYSA-N
Molecular Weight 413.643 g/mol
SMILES CCOC(NC(C(CC)C)C(OCCCCCCCCCCCCCCC)=O)=O