| SpectraBase Spectrum ID |
BDblaQpoGYe |
| Name |
L-Valine, N-isobutoxycarbonyl-, 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/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-32-27(30)26(25(4)5)29-28(31)33-23-24(2)3/h24-26H,6-23H2,1-5H3,(H,29,31) |
| InChIKey |
QQUAVYWYWVWRGE-UHFFFAOYSA-N |
| Molecular Weight |
469.751 g/mol |
| SMILES |
CC(C)COC(NC(C(OCCCCCCCCCCCCCCCCCC)=O)C(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.886869 |
