| SpectraBase Spectrum ID |
49I4HBYkVWZ |
| Name |
L-Alanine, N-isobutoxycarbonyl-, octadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
441.381809122 u |
| Formula |
C26H51NO4 |
| InChI |
InChI=1S/C26H51NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-30-25(28)24(4)27-26(29)31-22-23(2)3/h23-24H,5-22H2,1-4H3,(H,27,29) |
| InChIKey |
HFTAINRUEIEWRV-UHFFFAOYSA-N |
| Molecular Weight |
441.697 g/mol |
| SMILES |
CC(C)COC(NC(C(OCCCCCCCCCCCCCCCCCC)=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.916125 |
