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Tert-leucine, N-ethoxycarbonyl-, pentadecyl ester

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Tert-leucine, N-ethoxycarbonyl-, pentadecyl ester
SpectraBase Compound ID 5ccsro797zI
InChI InChI=1S/C24H47NO4/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-29-22(26)21(24(3,4)5)25-23(27)28-7-2/h21H,6-20H2,1-5H3,(H,25,27)
InChIKey HOEUJEOTLLYUPW-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 5erM7vmkcms
Name Tert-leucine, 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/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-29-22(26)21(24(3,4)5)25-23(27)28-7-2/h21H,6-20H2,1-5H3,(H,25,27)
InChIKey HOEUJEOTLLYUPW-UHFFFAOYSA-N
Molecular Weight 413.643 g/mol
SMILES C(OC(C(NC(OCC)=O)C(C)(C)C)=O)CCCCCCCCCCCCCC