| SpectraBase Spectrum ID |
146xU4bB0oF |
| Name |
L-Alanine, N-octanoyl-, undec-10-enyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
367.308644181 u |
| Formula |
C22H41NO3 |
| InChI |
InChI=1S/C22H41NO3/c1-4-6-8-10-11-12-13-15-17-19-26-22(25)20(3)23-21(24)18-16-14-9-7-5-2/h4,20H,1,5-19H2,2-3H3,(H,23,24) |
| InChIKey |
ZAOOQFSNTXNMLC-UHFFFAOYSA-N |
| Molecular Weight |
367.574 g/mol |
| SMILES |
CCCCCCCC(NC(C)C(OCCCCCCCCCC=C)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.949537 |
