| SpectraBase Spectrum ID |
3tgR3283kcS |
| Name |
L-Isoleucine, N-ethoxycarbonyl-, octadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
455.397459187 u |
| Formula |
C27H53NO4 |
| InChI |
InChI=1S/C27H53NO4/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-32-26(29)25(24(4)6-2)28-27(30)31-7-3/h24-25H,5-23H2,1-4H3,(H,28,30) |
| InChIKey |
JYLSSYQJADUKAD-UHFFFAOYSA-N |
| Molecular Weight |
455.724 g/mol |
| SMILES |
CCOC(NC(C(CC)C)C(OCCCCCCCCCCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.885251 |
