| SpectraBase Spectrum ID |
3Sm5LBNHP9s |
| Name |
2-Aminocaprylic acid, N-ethoxycarbonyl-, tetradecyl 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/c1-4-7-9-11-12-13-14-15-16-17-18-20-22-30-24(27)23(21-19-10-8-5-2)26-25(28)29-6-3/h23H,4-22H2,1-3H3,(H,26,28) |
| InChIKey |
PZEQXCRDMMGFEJ-UHFFFAOYSA-N |
| Molecular Weight |
427.670 g/mol |
| SMILES |
CCCCCCC(NC(OCC)=O)C(=O)OCCCCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.88408 |
