| SpectraBase Compound ID | H6RzCb06P46 |
|---|---|
| InChI | InChI=1S/C17H31NO4/c1-4-7-9-11-14-22-17(20)18-15(12-6-3)16(19)21-13-10-8-5-2/h6,15H,3-5,7-14H2,1-2H3,(H,18,20) |
| InChIKey | OPPAHBLNEHQMSM-UHFFFAOYSA-N |
| Mol Weight | 313.44 g/mol |
| Molecular Formula | C17H31NO4 |
| Exact Mass | 313.225308 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HxkalJkMRPk |
|---|---|
| Name | 2-Aminopent-4-enoic acid, N-hexyloxycarbonyl-, pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 313.225308478 u |
| Formula | C17H31NO4 |
| InChI | InChI=1S/C17H31NO4/c1-4-7-9-11-14-22-17(20)18-15(12-6-3)16(19)21-13-10-8-5-2/h6,15H,3-5,7-14H2,1-2H3,(H,18,20) |
| InChIKey | OPPAHBLNEHQMSM-UHFFFAOYSA-N |
| Molecular Weight | 313.438 g/mol |
| SMILES | C(C(C(OCCCCC)=O)NC(=O)OCCCCCC)C=C |