| SpectraBase Spectrum ID |
DIzpulmq4d8 |
| Name |
.beta.-Alanine, N-caproyl-, tetradecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
383.339944310 u |
| Formula |
C23H45NO3 |
| InChI |
InChI=1S/C23H45NO3/c1-3-5-7-8-9-10-11-12-13-14-15-17-21-27-23(26)19-20-24-22(25)18-16-6-4-2/h3-21H2,1-2H3,(H,24,25) |
| InChIKey |
VDBNJRPKDOGMMI-UHFFFAOYSA-N |
| Molecular Weight |
383.617 g/mol |
| SMILES |
CCCCCC(NCCC(OCCCCCCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.928756 |
