| SpectraBase Compound ID | 3iodDwjs2KG |
|---|---|
| InChI | InChI=1S/C20H20N2O2/c23-20(19-14-17-8-4-5-9-18(17)24-19)22-12-10-21(11-13-22)15-16-6-2-1-3-7-16/h1-9,14H,10-13,15H2 |
| InChIKey | SRIJFPBZWUFLFD-UHFFFAOYSA-N |
| Mol Weight | 320.39 g/mol |
| Molecular Formula | C20H20N2O2 |
| Exact Mass | 320.152478 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BtaLtbCxItN |
|---|---|
| Name | Befuraline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.152477890 u |
| Formula | C20H20N2O2 |
| InChI | InChI=1S/C20H20N2O2/c23-20(19-14-17-8-4-5-9-18(17)24-19)22-12-10-21(11-13-22)15-16-6-2-1-3-7-16/h1-9,14H,10-13,15H2 |
| InChIKey | SRIJFPBZWUFLFD-UHFFFAOYSA-N |
| Molecular Weight | 320.392 g/mol |
| SMILES | C(=O)(C1=CC2=CC=CC=C2O1)N1CCN(CC1)CC1=CC=CC=C1 |