| SpectraBase Spectrum ID |
9FEaLPawXBr |
| Name |
L-Alanine, N-valeryl-, pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
243.183443666 u |
| Formula |
C13H25NO3 |
| InChI |
InChI=1S/C13H25NO3/c1-4-6-8-10-17-13(16)11(3)14-12(15)9-7-5-2/h11H,4-10H2,1-3H3,(H,14,15) |
| InChIKey |
WXKAZOSVPSNZLW-UHFFFAOYSA-N |
| Molecular Weight |
243.347 g/mol |
| SMILES |
C(COC(C(NC(=O)CCCC)C)=O)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.845526 |
