| SpectraBase Spectrum ID |
6Vt4KcPNEO7 |
| Name |
2-Aminocaprylic acid, N-propoxycarbonyl-, octyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
357.287908736 u |
| Formula |
C20H39NO4 |
| InChI |
InChI=1S/C20H39NO4/c1-4-7-9-11-12-14-17-24-19(22)18(15-13-10-8-5-2)21-20(23)25-16-6-3/h18H,4-17H2,1-3H3,(H,21,23) |
| InChIKey |
WECBQEUKLQGBCH-UHFFFAOYSA-N |
| Molecular Weight |
357.535 g/mol |
| SMILES |
C(CCC(NC(OCCC)=O)C(=O)OCCCCCCCC)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.84813 |
