| SpectraBase Spectrum ID |
7k0OcBed9EJ |
| Name |
L-Isoleucine, N-propoxycarbonyl-, octadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
469.413109251 u |
| Formula |
C28H55NO4 |
| InChI |
InChI=1S/C28H55NO4/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-32-27(30)26(25(4)7-3)29-28(31)33-23-6-2/h25-26H,5-24H2,1-4H3,(H,29,31) |
| InChIKey |
FPDIZKIINCEXIW-UHFFFAOYSA-N |
| Molecular Weight |
469.751 g/mol |
| SMILES |
CCCOC(NC(C(CC)C)C(OCCCCCCCCCCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.909337 |
