| SpectraBase Spectrum ID |
FeP2xdWyLL7 |
| Name |
L-Alanine, N-valeryl-, tridecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
355.308644181 u |
| Formula |
C21H41NO3 |
| InChI |
InChI=1S/C21H41NO3/c1-4-6-8-9-10-11-12-13-14-15-16-18-25-21(24)19(3)22-20(23)17-7-5-2/h19H,4-18H2,1-3H3,(H,22,23) |
| InChIKey |
LGNBONQIUBCMQA-UHFFFAOYSA-N |
| Molecular Weight |
355.563 g/mol |
| SMILES |
C(COC(C(NC(=O)CCCC)C)=O)CCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.949889 |
