| SpectraBase Spectrum ID |
Hu7QGE6B2i5 |
| Name |
L-Isoleucine, N-ethoxycarbonyl-, hexadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
427.366159058 u |
| Formula |
C25H49NO4 |
| InChI |
InChI=1S/C25H49NO4/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-30-24(27)23(22(4)6-2)26-25(28)29-7-3/h22-23H,5-21H2,1-4H3,(H,26,28) |
| InChIKey |
XYTZODWSLCCJAH-UHFFFAOYSA-N |
| Molecular Weight |
427.670 g/mol |
| SMILES |
CCOC(NC(C(CC)C)C(OCCCCCCCCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.872103 |
