| SpectraBase Compound ID | KrtjKfSEiff |
|---|---|
| InChI | InChI=1S/C21H25NO3/c1-2-13-22-14-6-15-25-21-12-10-18(23)16-19(21)20(24)11-9-17-7-4-3-5-8-17/h3-8,10,12,14,16,22-23H,2,9,11,13,15H2,1H3/b14-6+ |
| InChIKey | KYMQAJLIYWNHSC-MKMNVTDBSA-N |
| Mol Weight | 339.44 g/mol |
| Molecular Formula | C21H25NO3 |
| Exact Mass | 339.183444 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CLMNnQy0OOo |
|---|---|
| Name | Propafenone-m (ho-) -H2O P1151 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 339.183443666 u |
| Formula | C21H25NO3 |
| InChI | InChI=1S/C21H25NO3/c1-2-13-22-14-6-15-25-21-12-10-18(23)16-19(21)20(24)11-9-17-7-4-3-5-8-17/h3-8,10,12,14,16,22-23H,2,9,11,13,15H2,1H3/b14-6+ |
| InChIKey | KYMQAJLIYWNHSC-MKMNVTDBSA-N |
| Molecular Weight | 339.435 g/mol |
| SMILES | C=1C(=C(C=C(C1)O)C(=O)CCC1=CC=CC=C1)OC\C=C\NCCC |