| SpectraBase Compound ID | GYOMaSdR5W3 |
|---|---|
| InChI | InChI=1S/C20H20F3N3O/c1-15(2)26(18(27)20(21,22)23)13-11-19(14-24,16-8-4-3-5-9-16)17-10-6-7-12-25-17/h3-10,12,15H,11,13H2,1-2H3 |
| InChIKey | CSLQXRFPBQLWMC-UHFFFAOYSA-N |
| Mol Weight | 375.4 g/mol |
| Molecular Formula | C20H20F3N3O |
| Exact Mass | 375.155847 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IjMKtGPszk |
|---|---|
| Name | Disopyramide-m -H2O tfp P1335 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 375.155846764 u |
| Formula | C20H20F3N3O |
| InChI | InChI=1S/C20H20F3N3O/c1-15(2)26(18(27)20(21,22)23)13-11-19(14-24,16-8-4-3-5-9-16)17-10-6-7-12-25-17/h3-10,12,15H,11,13H2,1-2H3 |
| InChIKey | CSLQXRFPBQLWMC-UHFFFAOYSA-N |
| Molecular Weight | 375.395 g/mol |
| SMILES | C(C(C#N)(C=1C=CC=CC1)C1=CC=CC=N1)CN(C(C)C)C(=O)C(F)(F)F |