| SpectraBase Spectrum ID |
CQe8HUKjbDV |
| Name |
L-Leucine, N-allyloxycarbonyl-N-methyl-, hexadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| 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 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.89656 |
