| SpectraBase Spectrum ID |
BzafZ6gvvfN |
| Name |
L-Alanine, N-valeryl-, pentadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
383.339944310 u |
| Formula |
C23H45NO3 |
| InChI |
InChI=1S/C23H45NO3/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-20-27-23(26)21(3)24-22(25)19-7-5-2/h21H,4-20H2,1-3H3,(H,24,25) |
| InChIKey |
JQPJSYAEXGOTSY-UHFFFAOYSA-N |
| Molecular Weight |
383.617 g/mol |
| SMILES |
C(OC(C(NC(=O)CCCC)C)=O)CCCCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.954143 |
