| SpectraBase Spectrum ID |
5fyA4eAfnAC |
| Name |
2-Aminocaprylic acid, N-isobutoxycarbonyl-, octyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
371.303558800 u |
| Formula |
C21H41NO4 |
| InChI |
InChI=1S/C21H41NO4/c1-5-7-9-11-12-14-16-25-20(23)19(15-13-10-8-6-2)22-21(24)26-17-18(3)4/h18-19H,5-17H2,1-4H3,(H,22,24) |
| InChIKey |
OGRJBHGXKFVAOJ-UHFFFAOYSA-N |
| Molecular Weight |
371.562 g/mol |
| SMILES |
C(CC(NC(OCC(C)C)=O)C(=O)OCCCCCCCC)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.858588 |
