| SpectraBase Compound ID | ALe7RMZdn7g |
|---|---|
| InChI | InChI=1S/C20H19F3N2O2/c1-25(19(26)20(21,22)23)12-13-27-24-18-16-8-4-2-6-14(16)10-11-15-7-3-5-9-17(15)18/h2-9H,10-13H2,1H3 |
| InChIKey | RPIYNDMOKYGONA-UHFFFAOYSA-N |
| Mol Weight | 376.38 g/mol |
| Molecular Formula | C20H19F3N2O2 |
| Exact Mass | 376.139862 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2fi9Xqg3wTp |
|---|---|
| Name | Noxiptiline-A tfa |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 376.139862347 u |
| Formula | C20H19F3N2O2 |
| InChI | InChI=1S/C20H19F3N2O2/c1-25(19(26)20(21,22)23)12-13-27-24-18-16-8-4-2-6-14(16)10-11-15-7-3-5-9-17(15)18/h2-9H,10-13H2,1H3 |
| InChIKey | RPIYNDMOKYGONA-UHFFFAOYSA-N |
| Molecular Weight | 376.379 g/mol |
| SMILES | C1(C2=C(CCC=3C1=CC=CC3)C=CC=C2)=NOCCN(C(C(F)(F)F)=O)C |