| SpectraBase Compound ID | 4ggv3PIizMy |
|---|---|
| InChI | InChI=1S/C16H25NO4/c1-4-7-9-10-13-20-15(18)14(11-6-3)17-16(19)21-12-8-5-2/h6,14H,3-4,7,9-13H2,1-2H3,(H,17,19) |
| InChIKey | NMFCXINHFGYYNW-UHFFFAOYSA-N |
| Mol Weight | 295.38 g/mol |
| Molecular Formula | C16H25NO4 |
| Exact Mass | 295.178358 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Lp3ZTHx2dqH |
|---|---|
| Name | 2-Aminopent-4-enoic acid, N-(but-2-yn-1-yloxycarbonyl)-, hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 295.178358285 u |
| Formula | C16H25NO4 |
| InChI | InChI=1S/C16H25NO4/c1-4-7-9-10-13-20-15(18)14(11-6-3)17-16(19)21-12-8-5-2/h6,14H,3-4,7,9-13H2,1-2H3,(H,17,19) |
| InChIKey | NMFCXINHFGYYNW-UHFFFAOYSA-N |
| SMILES | C(C(C(OCCCCCC)=O)NC(=O)OCC#CC)C=C |