| SpectraBase Spectrum ID |
EYB38iDSPvu |
| Name |
2-Aminocaprylic acid, N-isobutoxycarbonyl-, heptyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
357.287908736 u |
| Formula |
C20H39NO4 |
| InChI |
InChI=1S/C20H39NO4/c1-5-7-9-11-13-15-24-19(22)18(14-12-10-8-6-2)21-20(23)25-16-17(3)4/h17-18H,5-16H2,1-4H3,(H,21,23) |
| InChIKey |
AIPMHQFJJZDZKQ-UHFFFAOYSA-N |
| Molecular Weight |
357.535 g/mol |
| SMILES |
C(CC(NC(OCC(C)C)=O)C(=O)OCCCCCCC)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.876296 |
