| SpectraBase Spectrum ID |
C3IBoM8qGZv |
| Name |
L-Isoleucine, N-(2-methoxyethoxycarbonyl)-, heptadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
471.392373806 u |
| Formula |
C27H53NO5 |
| InChI |
InChI=1S/C27H53NO5/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32-26(29)25(24(3)6-2)28-27(30)33-23-22-31-4/h24-25H,5-23H2,1-4H3,(H,28,30) |
| InChIKey |
XVGFOGYIHWRLAK-UHFFFAOYSA-N |
| Molecular Weight |
471.723 g/mol |
| SMILES |
C(OC(C(NC(OCCOC)=O)C(C)CC)=O)CCCCCCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.877084 |
