| SpectraBase Spectrum ID |
4JnzY0WPJl5 |
| Name |
2-Aminocaprylic acid, N-ethoxycarbonyl-, dodecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
399.334858929 u |
| Formula |
C23H45NO4 |
| InChI |
InChI=1S/C23H45NO4/c1-4-7-9-11-12-13-14-15-16-18-20-28-22(25)21(19-17-10-8-5-2)24-23(26)27-6-3/h21H,4-20H2,1-3H3,(H,24,26) |
| InChIKey |
SNITZOLKMQRBGJ-UHFFFAOYSA-N |
| Molecular Weight |
399.616 g/mol |
| SMILES |
CCCCCCC(NC(OCC)=O)C(=O)OCCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.922126 |
