| SpectraBase Compound ID | 9JfmxcponAp |
|---|---|
| InChI | InChI=1S/C23H20N2O2/c1-2-3-6-15-25-16-19(18-11-4-5-12-20(18)25)23(26)27-21-13-7-9-17-10-8-14-24-22(17)21/h2,4-5,7-14,16H,1,3,6,15H2 |
| InChIKey | PPZLYIIJPGLLLY-UHFFFAOYSA-N |
| Mol Weight | 356.43 g/mol |
| Molecular Formula | C23H20N2O2 |
| Exact Mass | 356.152478 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 543EyJTAmw0 |
|---|---|
| Name | 5F-pb-22 A (-hf) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 356.152477890 u |
| Formula | C23H20N2O2 |
| InChI | InChI=1S/C23H20N2O2/c1-2-3-6-15-25-16-19(18-11-4-5-12-20(18)25)23(26)27-21-13-7-9-17-10-8-14-24-22(17)21/h2,4-5,7-14,16H,1,3,6,15H2 |
| InChIKey | PPZLYIIJPGLLLY-UHFFFAOYSA-N |
| Molecular Weight | 356.425 g/mol |
| SMILES | C=1(C=2C(N(C1)CCCC=C)=CC=CC2)C(OC=1C=2C(C=CC1)=CC=CN2)=O |