| SpectraBase Spectrum ID |
4dMUraP0NLb |
| Name |
2-Aminopent-4-enoic acid, N-(2-ethylhexyloxycarbonyl)-, tridecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
453.381809122 u |
| Formula |
C27H51NO4 |
| InChI |
InChI=1S/C27H51NO4/c1-5-9-11-12-13-14-15-16-17-18-19-22-31-26(29)25(20-7-3)28-27(30)32-23-24(8-4)21-10-6-2/h7,24-25H,3,5-6,8-23H2,1-2,4H3,(H,28,30) |
| InChIKey |
ILMMGMYQLSYJNV-UHFFFAOYSA-N |
| Molecular Weight |
453.708 g/mol |
| SMILES |
C(C(C(OCCCCCCCCCCCCC)=O)NC(=O)OCC(CCCC)CC)C=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.93522 |
