| SpectraBase Spectrum ID |
4CgliDrOjg1 |
| Name |
Valine, N-methyl-N-ethoxycarbonyl-, octadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
455.397459187 u |
| Formula |
C27H53NO4 |
| InChI |
InChI=1S/C27H53NO4/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-32-26(29)25(24(3)4)28(5)27(30)31-7-2/h24-25H,6-23H2,1-5H3 |
| InChIKey |
ABCLHPMXMBEVQA-UHFFFAOYSA-N |
| Molecular Weight |
455.724 g/mol |
| SMILES |
CCOC(N(C(C(OCCCCCCCCCCCCCCCCCC)=O)C(C)C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.885557 |
