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L-Alanine, N-octanoyl-, octadecyl ester
SpectraBase Compound ID ItzrqXhKYXm
InChI InChI=1S/C29H57NO3/c1-4-6-8-10-11-12-13-14-15-16-17-18-19-20-22-24-26-33-29(32)27(3)30-28(31)25-23-21-9-7-5-2/h27H,4-26H2,1-3H3,(H,30,31)
InChIKey DXZIGMVUAYATQN-UHFFFAOYSA-N
Mol Weight 467.8 g/mol
Molecular Formula C29H57NO3
Exact Mass 467.433845 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1fG6m3zLHUQ
Name L-Alanine, N-octanoyl-, octadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 467.433844696 u
Formula C29H57NO3
InChI InChI=1S/C29H57NO3/c1-4-6-8-10-11-12-13-14-15-16-17-18-19-20-22-24-26-33-29(32)27(3)30-28(31)25-23-21-9-7-5-2/h27H,4-26H2,1-3H3,(H,30,31)
InChIKey DXZIGMVUAYATQN-UHFFFAOYSA-N
Molecular Weight 467.779 g/mol
SMILES CCCCCCCC(NC(C)C(OCCCCCCCCCCCCCCCCCC)=O)=O