| SpectraBase Spectrum ID |
LakUQK26K71 |
| Name |
L-Alanine, N-valeryl-, undec-10-enyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
325.261693988 u |
| Formula |
C19H35NO3 |
| InChI |
InChI=1S/C19H35NO3/c1-4-6-8-9-10-11-12-13-14-16-23-19(22)17(3)20-18(21)15-7-5-2/h4,17H,1,5-16H2,2-3H3,(H,20,21) |
| InChIKey |
FVJLPNRQQKNUOS-UHFFFAOYSA-N |
| Molecular Weight |
325.493 g/mol |
| SMILES |
C(COC(C(NC(=O)CCCC)C)=O)CCCCCCCC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.930942 |
