| SpectraBase Spectrum ID |
AjgMewDiPsW |
| Name |
2-Aminopent-4-enoic acid, N-(2-ethylhexyloxycarbonyl)-, dodecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
439.366159058 u |
| Formula |
C26H49NO4 |
| InChI |
InChI=1S/C26H49NO4/c1-5-9-11-12-13-14-15-16-17-18-21-30-25(28)24(19-7-3)27-26(29)31-22-23(8-4)20-10-6-2/h7,23-24H,3,5-6,8-22H2,1-2,4H3,(H,27,29) |
| InChIKey |
QHHDXDGJFAJGOM-UHFFFAOYSA-N |
| Molecular Weight |
439.681 g/mol |
| SMILES |
C(C(C(OCCCCCCCCCCCC)=O)NC(=O)OCC(CCCC)CC)C=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.946293 |
