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L-Leucine, N-allyloxycarbonyl-N-methyl-, undecyl ester
SpectraBase Compound ID BaULEREK6y4
InChI InChI=1S/C22H41NO4/c1-6-8-9-10-11-12-13-14-15-17-26-21(24)20(18-19(3)4)23(5)22(25)27-16-7-2/h7,19-20H,2,6,8-18H2,1,3-5H3
InChIKey MXQJQFSFIONWLJ-UHFFFAOYSA-N
Mol Weight 383.6 g/mol
Molecular Formula C22H41NO4
Exact Mass 383.303559 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 40vEhTT7qtA
Name L-Leucine, N-allyloxycarbonyl-N-methyl-, undecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 383.303558800 u
Formula C22H41NO4
InChI InChI=1S/C22H41NO4/c1-6-8-9-10-11-12-13-14-15-17-26-21(24)20(18-19(3)4)23(5)22(25)27-16-7-2/h7,19-20H,2,6,8-18H2,1,3-5H3
InChIKey MXQJQFSFIONWLJ-UHFFFAOYSA-N
Molecular Weight 383.573 g/mol
SMILES C=CCOC(N(C(C(OCCCCCCCCCCC)=O)CC(C)C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.809808