| SpectraBase Spectrum ID |
8yMoymO6S7l |
| Name |
2-Aminocaprylic acid, N-isobutoxycarbonyl-, 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/c1-5-7-9-11-12-13-14-15-16-18-20-29-24(27)23(19-17-10-8-6-2)26-25(28)30-21-22(3)4/h22-23H,5-21H2,1-4H3,(H,26,28) |
| InChIKey |
WBGGPEWFVMBUDD-UHFFFAOYSA-N |
| Molecular Weight |
427.670 g/mol |
| SMILES |
CCCCCCC(NC(OCC(C)C)=O)C(=O)OCCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.926851 |
