| SpectraBase Compound ID | 2btb51lzOlg |
|---|---|
| InChI | InChI=1S/C15H11ClN2O3/c16-11-3-5-14(17-8-11)18-15(19)6-2-10-1-4-12-13(7-10)21-9-20-12/h1-8H,9H2,(H,17,18,19)/b6-2+ |
| InChIKey | DSFGQBOPYHSKKO-QHHAFSJGSA-N |
| Mol Weight | 302.72 g/mol |
| Molecular Formula | C15H11ClN2O3 |
| Exact Mass | 302.04582 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AJiwgG1CASz |
|---|---|
| Name | (2E)-3-(1,3-Benzodioxol-5-yl)-N-(5-chloro-2-pyridinyl)-2-propenamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.045819919 u |
| Formula | C15H11ClN2O3 |
| InChI | InChI=1S/C15H11ClN2O3/c16-11-3-5-14(17-8-11)18-15(19)6-2-10-1-4-12-13(7-10)21-9-20-12/h1-8H,9H2,(H,17,18,19)/b6-2+ |
| InChIKey | DSFGQBOPYHSKKO-QHHAFSJGSA-N |
| SMILES | N(C(\C=C\C1=CC=2OCOC2C=C1)=O)C=1N=CC(=CC1)Cl |