| SpectraBase Compound ID | 6c42tEhPTqn |
|---|---|
| InChI | InChI=1S/C21H25NO2/c1-2-15-22-16-8-17-24-21-12-7-6-11-19(21)20(23)14-13-18-9-4-3-5-10-18/h3-12,16,22H,2,13-15,17H2,1H3/b16-8+ |
| InChIKey | XFTLVJNGHMNWHK-LZYBPNLTSA-N |
| Mol Weight | 323.44 g/mol |
| Molecular Formula | C21H25NO2 |
| Exact Mass | 323.188529 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4trglpCAg1P |
|---|---|
| Name | Propafenone -H2O P1053 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 323.188529047 u |
| Formula | C21H25NO2 |
| InChI | InChI=1S/C21H25NO2/c1-2-15-22-16-8-17-24-21-12-7-6-11-19(21)20(23)14-13-18-9-4-3-5-10-18/h3-12,16,22H,2,13-15,17H2,1H3/b16-8+ |
| InChIKey | XFTLVJNGHMNWHK-LZYBPNLTSA-N |
| Molecular Weight | 323.436 g/mol |
| SMILES | C1(=CC=CC=C1)CCC(C=1C=CC=CC1OC\C=C\NCCC)=O |