![1-[(2E)-3-(1,3-benzodioxol-5-yl)-2-propenoyl]-2-ethylpiperidine](/api/spectrum/LuE5ekekceX/structure.png?h=300&w=458 "1-[(2E)-3-(1,3-benzodioxol-5-yl)-2-propenoyl]-2-ethylpiperidine")
| SpectraBase Compound ID | 3jxlBOHkJCl |
|---|---|
| InChI | InChI=1S/C17H21NO3/c1-2-14-5-3-4-10-18(14)17(19)9-7-13-6-8-15-16(11-13)21-12-20-15/h6-9,11,14H,2-5,10,12H2,1H3/b9-7+ |
| InChIKey | ADJWCEUZWLVOAZ-VQHVLOKHSA-N |
| Mol Weight | 287.36 g/mol |
| Molecular Formula | C17H21NO3 |
| Exact Mass | 287.152144 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LuE5ekekceX |
|---|---|
| Name | 1-[(2E)-3-(1,3-Benzodioxol-5-yl)-2-propenoyl]-2-ethylpiperidine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 287.152143537 u |
| Formula | C17H21NO3 |
| InChI | InChI=1S/C17H21NO3/c1-2-14-5-3-4-10-18(14)17(19)9-7-13-6-8-15-16(11-13)21-12-20-15/h6-9,11,14H,2-5,10,12H2,1H3/b9-7+ |
| InChIKey | ADJWCEUZWLVOAZ-VQHVLOKHSA-N |
| SMILES | C1CCN(C(\C=C\C2=CC=3OCOC3C=C2)=O)C(CC)C1 |