| SpectraBase Spectrum ID |
7hFaudnqcFS |
| Name |
2-Aminopent-4-enoic acid, N-(2-ethylhexyloxycarbonyl)-, hexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
355.272258671 u |
| Formula |
C20H37NO4 |
| InChI |
InChI=1S/C20H37NO4/c1-5-9-11-12-15-24-19(22)18(13-7-3)21-20(23)25-16-17(8-4)14-10-6-2/h7,17-18H,3,5-6,8-16H2,1-2,4H3,(H,21,23) |
| InChIKey |
FMKQOURDRHXBOQ-UHFFFAOYSA-N |
| Molecular Weight |
355.519 g/mol |
| SMILES |
C(C(C(OCCCCCC)=O)NC(=O)OCC(CCCC)CC)C=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.888851 |
