| SpectraBase Spectrum ID |
96rzx0TGRMB |
| Name |
L-Alanine, N-valeryl-, tetradecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
369.324294246 u |
| Formula |
C22H43NO3 |
| InChI |
InChI=1S/C22H43NO3/c1-4-6-8-9-10-11-12-13-14-15-16-17-19-26-22(25)20(3)23-21(24)18-7-5-2/h20H,4-19H2,1-3H3,(H,23,24) |
| InChIKey |
XCFHRSQDPUKPRD-UHFFFAOYSA-N |
| Molecular Weight |
369.590 g/mol |
| SMILES |
C(COC(C(NC(=O)CCCC)C)=O)CCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.936111 |
