| SpectraBase Spectrum ID |
Clkw1XifKiT |
| Name |
2-Aminocaprylic acid, N-ethoxycarbonyl-, pentadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
441.381809122 u |
| Formula |
C26H51NO4 |
| InChI |
InChI=1S/C26H51NO4/c1-4-7-9-11-12-13-14-15-16-17-18-19-21-23-31-25(28)24(22-20-10-8-5-2)27-26(29)30-6-3/h24H,4-23H2,1-3H3,(H,27,29) |
| InChIKey |
MOIJFUKYTBQUBA-UHFFFAOYSA-N |
| Molecular Weight |
441.697 g/mol |
| SMILES |
CCCCCCC(NC(OCC)=O)C(=O)OCCCCCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.921241 |
