| SpectraBase Spectrum ID |
J2Hd4b4l4Wo |
| Name |
.beta.-Alanine, N-capryloyl-, tetradecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
411.371244439 u |
| Formula |
C25H49NO3 |
| InChI |
InChI=1S/C25H49NO3/c1-3-5-7-9-10-11-12-13-14-15-17-19-23-29-25(28)21-22-26-24(27)20-18-16-8-6-4-2/h3-23H2,1-2H3,(H,26,27) |
| InChIKey |
MIOJYJLNVXRQAJ-UHFFFAOYSA-N |
| Molecular Weight |
411.671 g/mol |
| SMILES |
CCCCCCCC(NCCC(OCCCCCCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.937236 |
