| SpectraBase Spectrum ID |
ZZ5R8iBC2k |
| Name |
L-Isoleucine, N-isobutoxycarbonyl-, octadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
483.428759315 u |
| Formula |
C29H57NO4 |
| InChI |
InChI=1S/C29H57NO4/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-33-28(31)27(26(5)7-2)30-29(32)34-24-25(3)4/h25-27H,6-24H2,1-5H3,(H,30,32) |
| InChIKey |
XTJZJPZPYRPBIJ-UHFFFAOYSA-N |
| Molecular Weight |
483.778 g/mol |
| SMILES |
CC(C)COC(NC(C(CC)C)C(OCCCCCCCCCCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.893793 |
