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L-Leucine, N-neopentyloxycarbonyl-N-methyl-, octadecyl ester
SpectraBase Compound ID 51clDtu6okE
InChI InChI=1S/C31H61NO4/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-35-29(33)28(25-27(2)3)32(7)30(34)36-26-31(4,5)6/h27-28H,8-26H2,1-7H3
InChIKey FVRVHXRXWMENTN-UHFFFAOYSA-N
Mol Weight 511.8 g/mol
Molecular Formula C31H61NO4
Exact Mass 511.460059 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LIpyBvhrOW
Name L-Leucine, N-neopentyloxycarbonyl-N-methyl-, octadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 511.460059444 u
Formula C31H61NO4
InChI InChI=1S/C31H61NO4/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-35-29(33)28(25-27(2)3)32(7)30(34)36-26-31(4,5)6/h27-28H,8-26H2,1-7H3
InChIKey FVRVHXRXWMENTN-UHFFFAOYSA-N
Molecular Weight 511.832 g/mol
SMILES CC(COC(N(C(C(OCCCCCCCCCCCCCCCCCC)=O)CC(C)C)C)=O)(C)C