| SpectraBase Spectrum ID |
KlbeyeXsqAg |
| Name |
2-Aminocaprylic acid, N-butoxycarbonyl-, nonyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
385.319208865 u |
| Formula |
C22H43NO4 |
| InChI |
InChI=1S/C22H43NO4/c1-4-7-10-12-13-14-16-19-26-21(24)20(17-15-11-8-5-2)23-22(25)27-18-9-6-3/h20H,4-19H2,1-3H3,(H,23,25) |
| InChIKey |
LECXWZVJOCYLOZ-UHFFFAOYSA-N |
| Molecular Weight |
385.589 g/mol |
| SMILES |
CCCCOC(NC(C(OCCCCCCCCC)=O)CCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.888567 |
