![(E)-5-(7-Methoxybenzo[D][1,3]dioxol-5-yl)-1-(pyrrolidin-1-yl)pent-2-en-1-one](/api/spectrum/IbVIa4dVh7M/structure.png?h=300&w=458 "(E)-5-(7-Methoxybenzo[D][1,3]dioxol-5-yl)-1-(pyrrolidin-1-yl)pent-2-en-1-one")
| SpectraBase Compound ID | 2TVfm2Zkyrg |
|---|---|
| InChI | InChI=1S/C17H21NO4/c1-20-14-10-13(11-15-17(14)22-12-21-15)6-2-3-7-16(19)18-8-4-5-9-18/h3,7,10-11H,2,4-6,8-9,12H2,1H3/b7-3+ |
| InChIKey | HRACTBXGPPWEGI-XVNBXDOJSA-N |
| Mol Weight | 303.36 g/mol |
| Molecular Formula | C17H21NO4 |
| Exact Mass | 303.147058 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IbVIa4dVh7M |
|---|---|
| Name | (E)-5-(7-Methoxybenzo[D][1,3]dioxol-5-yl)-1-(pyrrolidin-1-yl)pent-2-en-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 303.147058156 u |
| Formula | C17H21NO4 |
| InChI | InChI=1S/C17H21NO4/c1-20-14-10-13(11-15-17(14)22-12-21-15)6-2-3-7-16(19)18-8-4-5-9-18/h3,7,10-11H,2,4-6,8-9,12H2,1H3/b7-3+ |
| InChIKey | HRACTBXGPPWEGI-XVNBXDOJSA-N |
| SMILES | COC1=C2OCOC2=CC(=C1)CC\C=C\C(=O)N1CCCC1 |