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 |