| SpectraBase Spectrum ID |
66FTDHGElDp |
| Name |
2-Aminocaprylic acid, N-ethoxycarbonyl-, octadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
483.428759315 u |
| Formula |
C29H57NO4 |
| InChI |
InChI=1S/C29H57NO4/c1-4-7-9-11-12-13-14-15-16-17-18-19-20-21-22-24-26-34-28(31)27(25-23-10-8-5-2)30-29(32)33-6-3/h27H,4-26H2,1-3H3,(H,30,32) |
| InChIKey |
MGYHYICKMIPTKB-UHFFFAOYSA-N |
| Molecular Weight |
483.778 g/mol |
| SMILES |
CCCCCCC(NC(OCC)=O)C(=O)OCCCCCCCCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.952251 |
