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L-Isoleucine, N-isobutoxycarbonyl-, tridecyl ester

View entire compound with spectra: 1 NMR

L-Isoleucine, N-isobutoxycarbonyl-, tridecyl ester
SpectraBase Compound ID JskgROFk2LV
InChI InChI=1S/C24H47NO4/c1-6-8-9-10-11-12-13-14-15-16-17-18-28-23(26)22(21(5)7-2)25-24(27)29-19-20(3)4/h20-22H,6-19H2,1-5H3,(H,25,27)
InChIKey KPZVQMRVMBZRGO-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 1PQnHoSz41I
Name L-Isoleucine, N-isobutoxycarbonyl-, tridecyl 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/c1-6-8-9-10-11-12-13-14-15-16-17-18-28-23(26)22(21(5)7-2)25-24(27)29-19-20(3)4/h20-22H,6-19H2,1-5H3,(H,25,27)
InChIKey KPZVQMRVMBZRGO-UHFFFAOYSA-N
Molecular Weight 413.643 g/mol
SMILES CC(C)COC(NC(C(CC)C)C(OCCCCCCCCCCCCC)=O)=O