| SpectraBase Spectrum ID |
4ZIDttMzYmx |
| Name |
L-Alanine, N-cyclobutylcarbonyl-, dodecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
339.277344052 u |
| Formula |
C20H37NO3 |
| InChI |
InChI=1S/C20H37NO3/c1-3-4-5-6-7-8-9-10-11-12-16-24-20(23)17(2)21-19(22)18-14-13-15-18/h17-18H,3-16H2,1-2H3,(H,21,22) |
| InChIKey |
XROQEFNJEWODHG-UHFFFAOYSA-N |
| Molecular Weight |
339.520 g/mol |
| SMILES |
C1(CCC1)C(NC(C(OCCCCCCCCCCCC)=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.85237 |
