| SpectraBase Compound ID | AZioFHA3skS |
|---|---|
| InChI | InChI=1S/C18H13F3N2O/c1-24-14-9-7-13(8-10-14)17-22-15(12-5-3-2-4-6-12)11-16(23-17)18(19,20)21/h2-11H,1H3 |
| InChIKey | FUJNTRNEJOMDII-UHFFFAOYSA-N |
| Mol Weight | 330.31 g/mol |
| Molecular Formula | C18H13F3N2O |
| Exact Mass | 330.097998 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3RU30y678Sy |
|---|---|
| Name | 2-(p-Methoxyphenyl)-6-phenyl-4-(trifluoromethyl)pyrimidine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 330.097997535 u |
| Formula | C18H13F3N2O |
| InChI | InChI=1S/C18H13F3N2O/c1-24-14-9-7-13(8-10-14)17-22-15(12-5-3-2-4-6-12)11-16(23-17)18(19,20)21/h2-11H,1H3 |
| InChIKey | FUJNTRNEJOMDII-UHFFFAOYSA-N |
| Molecular Weight | 330.310 g/mol |
| SMILES | C=1(N=C(C=C(N1)C=1C=CC=CC1)C(F)(F)F)C=1C=CC(=CC1)OC |