| SpectraBase Compound ID | BSKIyFnLW48 |
|---|---|
| InChI | InChI=1S/C20H22FNO3/c1-22-9-8-18(14-2-4-16(21)5-3-14)15(11-22)12-23-17-6-7-19-20(10-17)25-13-24-19/h2-7,10,15,18H,8-9,11-13H2,1H3 |
| InChIKey | MOJZPKOBKCXNKG-UHFFFAOYSA-N |
| Mol Weight | 343.4 g/mol |
| Molecular Formula | C20H22FNO3 |
| Exact Mass | 343.158372 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1VauGH2Uxa9 |
|---|---|
| Name | Paroxetine me P1175 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 343.158371732 u |
| Formula | C20H22FNO3 |
| InChI | InChI=1S/C20H22FNO3/c1-22-9-8-18(14-2-4-16(21)5-3-14)15(11-22)12-23-17-6-7-19-20(10-17)25-13-24-19/h2-7,10,15,18H,8-9,11-13H2,1H3 |
| InChIKey | MOJZPKOBKCXNKG-UHFFFAOYSA-N |
| Molecular Weight | 343.398 g/mol |
| SMILES | C1(C(CCN(C1)C)C1=CC=C(F)C=C1)COC=1C=C2C(OCO2)=CC1 |