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L-Leucine, N-allyloxycarbonyl-N-methyl-, hexadecyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

L-Leucine, N-allyloxycarbonyl-N-methyl-, hexadecyl ester
SpectraBase Compound ID FvHTogTbmkQ
InChI InChI=1S/C27H51NO4/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-22-31-26(29)25(23-24(3)4)28(5)27(30)32-21-7-2/h7,24-25H,2,6,8-23H2,1,3-5H3
InChIKey PZSDYPYYBCRDOQ-UHFFFAOYSA-N
Mol Weight 453.7 g/mol
Molecular Formula C27H51NO4
Exact Mass 453.381809 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DuoS3r1vuBI
Name L-Leucine, N-allyloxycarbonyl-N-methyl-, hexadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 453.381809122 u
Formula C27H51NO4
InChI InChI=1S/C27H51NO4/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-22-31-26(29)25(23-24(3)4)28(5)27(30)32-21-7-2/h7,24-25H,2,6,8-23H2,1,3-5H3
InChIKey PZSDYPYYBCRDOQ-UHFFFAOYSA-N
Molecular Weight 453.708 g/mol
SMILES C=CCOC(N(C(C(OCCCCCCCCCCCCCCCC)=O)CC(C)C)C)=O