| SpectraBase Compound ID | 4feKONwiuoT |
|---|---|
| InChI | InChI=1S/C17H27NO4/c1-4-7-9-10-11-14-21-16(19)15(12-6-3)18-17(20)22-13-8-5-2/h2,6,15H,3-4,7-14H2,1H3,(H,18,20) |
| InChIKey | XICOCDSGDQZCLT-UHFFFAOYSA-N |
| Mol Weight | 309.41 g/mol |
| Molecular Formula | C17H27NO4 |
| Exact Mass | 309.194008 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FvIsajAagZ6 |
|---|---|
| Name | 2-Aminopent-4-enoic acid, N-(3-butyn-1-oxycarbonyl)-, heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 309.194008349 u |
| Formula | C17H27NO4 |
| InChI | InChI=1S/C17H27NO4/c1-4-7-9-10-11-14-21-16(19)15(12-6-3)18-17(20)22-13-8-5-2/h2,6,15H,3-4,7-14H2,1H3,(H,18,20) |
| InChIKey | XICOCDSGDQZCLT-UHFFFAOYSA-N |
| Molecular Weight | 309.406 g/mol |
| SMILES | C(C(C(OCCCCCCC)=O)NC(=O)OCCC#C)C=C |