| SpectraBase Spectrum ID |
4L99eY2s7gb |
| Name |
2-Aminocaprylic acid, N-ethoxycarbonyl-, heptadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
469.413109251 u |
| Formula |
C28H55NO4 |
| InChI |
InChI=1S/C28H55NO4/c1-4-7-9-11-12-13-14-15-16-17-18-19-20-21-23-25-33-27(30)26(24-22-10-8-5-2)29-28(31)32-6-3/h26H,4-25H2,1-3H3,(H,29,31) |
| InChIKey |
QGZUPMZBPVZLDB-UHFFFAOYSA-N |
| Molecular Weight |
469.751 g/mol |
| SMILES |
CCCCCCC(NC(OCC)=O)C(=O)OCCCCCCCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943816 |
