| SpectraBase Spectrum ID |
E6rD8EkAk6M |
| Name |
.beta.-Alanine, N-caproyl-, hexyl 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/c1-3-5-7-9-13-19-15(18)11-12-16-14(17)10-8-6-4-2/h3-13H2,1-2H3,(H,16,17) |
| InChIKey |
FOTFIIGLERIXMU-UHFFFAOYSA-N |
| Molecular Weight |
271.401 g/mol |
| SMILES |
CCCCCC(NCCC(OCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.935997 |
