| SpectraBase Spectrum ID |
LwBAYx6GKo3 |
| Name |
.beta.-Alanine, N-capryloyl-, isobutyl 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/c1-4-5-6-7-8-9-14(17)16-11-10-15(18)19-12-13(2)3/h13H,4-12H2,1-3H3,(H,16,17) |
| InChIKey |
UPNLWMMQTAQTJQ-UHFFFAOYSA-N |
| Molecular Weight |
271.401 g/mol |
| SMILES |
CCCCCCCC(NCCC(OCC(C)C)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.889819 |
