| SpectraBase Spectrum ID |
8E9GVmYyF4y |
| Name |
L-Isoleucine, N-(2-methoxyethoxycarbonyl)-, octadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
485.408023870 u |
| Formula |
C28H55NO5 |
| InChI |
InChI=1S/C28H55NO5/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-33-27(30)26(25(3)6-2)29-28(31)34-24-23-32-4/h25-26H,5-24H2,1-4H3,(H,29,31) |
| InChIKey |
UOXJKSIFIZEXTJ-UHFFFAOYSA-N |
| Molecular Weight |
485.750 g/mol |
| SMILES |
C(COC(C(NC(OCCOC)=O)C(C)CC)=O)CCCCCCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.898098 |
