| SpectraBase Spectrum ID |
1xauEeSxZEt |
| Name |
L-Alanine, N-valeryl-, heptyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
271.214743795 u |
| Formula |
C15H29NO3 |
| InChI |
InChI=1S/C15H29NO3/c1-4-6-8-9-10-12-19-15(18)13(3)16-14(17)11-7-5-2/h13H,4-12H2,1-3H3,(H,16,17) |
| InChIKey |
YXOQILPTAHMTLD-UHFFFAOYSA-N |
| Molecular Weight |
271.401 g/mol |
| SMILES |
C(NC(C(OCCCCCCC)=O)C)(=O)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.925047 |
