| SpectraBase Compound ID | Fx3wDFRIGYj |
|---|---|
| InChI | InChI=1S/C20H21ClN2O4/c21-16-2-4-17(5-3-16)25-13-20(24)23-9-7-22(8-10-23)12-15-1-6-18-19(11-15)27-14-26-18/h1-6,11H,7-10,12-14H2 |
| InChIKey | BFUJHVVEMMWLHC-UHFFFAOYSA-N |
| Mol Weight | 388.85 g/mol |
| Molecular Formula | C20H21ClN2O4 |
| Exact Mass | 388.118985 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LZ0DOB5yMLo |
|---|---|
| Name | Fipexide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 388.118984860 u |
| Formula | C20H21ClN2O4 |
| InChI | InChI=1S/C20H21ClN2O4/c21-16-2-4-17(5-3-16)25-13-20(24)23-9-7-22(8-10-23)12-15-1-6-18-19(11-15)27-14-26-18/h1-6,11H,7-10,12-14H2 |
| InChIKey | BFUJHVVEMMWLHC-UHFFFAOYSA-N |
| Molecular Weight | 388.851 g/mol |
| SMILES | C1CN(CCN1CC=1C=C2OCOC2=CC1)C(COC=1C=CC(=CC1)Cl)=O |