| SpectraBase Spectrum ID |
GxRG6ED2LSt |
| Name |
L-Isoleucine, N-isobutoxycarbonyl-, heptadecyl 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/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-32-27(30)26(25(5)7-2)29-28(31)33-23-24(3)4/h24-26H,6-23H2,1-5H3,(H,29,31) |
| InChIKey |
SWNJHWSIULHYGO-UHFFFAOYSA-N |
| Molecular Weight |
469.751 g/mol |
| SMILES |
CC(C)COC(NC(C(CC)C)C(OCCCCCCCCCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.875822 |
