| SpectraBase Spectrum ID |
2f6K1gHPbZp |
| Name |
2-Aminocaprylic acid, N-butoxycarbonyl-, dodecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
427.366159058 u |
| Formula |
C25H49NO4 |
| InChI |
InChI=1S/C25H49NO4/c1-4-7-10-12-13-14-15-16-17-19-22-29-24(27)23(20-18-11-8-5-2)26-25(28)30-21-9-6-3/h23H,4-22H2,1-3H3,(H,26,28) |
| InChIKey |
RJERKPIMKYFJGX-UHFFFAOYSA-N |
| Molecular Weight |
427.670 g/mol |
| SMILES |
CCCCOC(NC(C(OCCCCCCCCCCCC)=O)CCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.913246 |
