| SpectraBase Compound ID | H6ZWyN3nVhh |
|---|---|
| InChI | InChI=1S/C26H27FN2O/c27-23-11-7-10-22(20-23)26(30)29(24-12-5-2-6-13-24)25-15-18-28(19-16-25)17-14-21-8-3-1-4-9-21/h1-13,20,25H,14-19H2 |
| InChIKey | PCSGOKAPJVKNMK-UHFFFAOYSA-N |
| Mol Weight | 402.51 g/mol |
| Molecular Formula | C26H27FN2O |
| Exact Mass | 402.210742 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7QmLUVdXBXy |
|---|---|
| Name | 3-Fluorophenylfentanyl |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 402.210741659 u |
| Formula | C26H27FN2O |
| InChI | InChI=1S/C26H27FN2O/c27-23-11-7-10-22(20-23)26(30)29(24-12-5-2-6-13-24)25-15-18-28(19-16-25)17-14-21-8-3-1-4-9-21/h1-13,20,25H,14-19H2 |
| InChIKey | PCSGOKAPJVKNMK-UHFFFAOYSA-N |
| Molecular Weight | 402.513 g/mol |
| SMILES | C(N(C1CCN(CC1)CCC=1C=CC=CC1)C1=CC=CC=C1)(C1=CC(=CC=C1)F)=O |