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L-Leucine, N-(2-furoyl)-, octadecyl ester

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L-Leucine, N-(2-furoyl)-, octadecyl ester
SpectraBase Compound ID 9QPfarLA0y5
InChI InChI=1S/C29H51NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-34-29(32)26(24-25(2)3)30-28(31)27-21-20-23-33-27/h20-21,23,25-26H,4-19,22,24H2,1-3H3,(H,30,31)
InChIKey FJOIYOLRMKJIDI-UHFFFAOYSA-N
Mol Weight 477.7 g/mol
Molecular Formula C29H51NO4
Exact Mass 477.381809 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FepzZ14ljRI
Name L-Leucine, N-(2-furoyl)-, octadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 477.381809122 u
Formula C29H51NO4
InChI InChI=1S/C29H51NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-34-29(32)26(24-25(2)3)30-28(31)27-21-20-23-33-27/h20-21,23,25-26H,4-19,22,24H2,1-3H3,(H,30,31)
InChIKey FJOIYOLRMKJIDI-UHFFFAOYSA-N
Molecular Weight 477.730 g/mol
SMILES CCCCCCCCCCCCCCCCCCOC(C(NC(C=1OC=CC1)=O)CC(C)C)=O