| SpectraBase Spectrum ID |
1G3FBDSO9K3 |
| Name |
2-Aminocaprylic acid, N-ethoxycarbonyl-, undecyl 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/c1-4-7-9-11-12-13-14-15-17-19-27-21(24)20(18-16-10-8-5-2)23-22(25)26-6-3/h20H,4-19H2,1-3H3,(H,23,25) |
| InChIKey |
UXPFHPQYHKMLST-UHFFFAOYSA-N |
| Molecular Weight |
385.589 g/mol |
| SMILES |
C(C(NC(OCC)=O)C(=O)OCCCCCCCCCCC)CCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.880701 |
