| SpectraBase Compound ID | JJJQWv0lXMK |
|---|---|
| InChI | InChI=1S/C15H9F3N2O/c16-15(17,18)10-4-3-5-11(8-10)20-9-19-13-7-2-1-6-12(13)14(20)21/h1-9H |
| InChIKey | AQJJSOJVRBPIDV-UHFFFAOYSA-N |
| Mol Weight | 290.25 g/mol |
| Molecular Formula | C15H9F3N2O |
| Exact Mass | 290.066697 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9VRx4rbNdks |
|---|---|
| Name | Quinazolin-4(3H)-one, 3-(3-trifluoromethylphenyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.066697406 u |
| Formula | C15H9F3N2O |
| InChI | InChI=1S/C15H9F3N2O/c16-15(17,18)10-4-3-5-11(8-10)20-9-19-13-7-2-1-6-12(13)14(20)21/h1-9H |
| InChIKey | AQJJSOJVRBPIDV-UHFFFAOYSA-N |
| Molecular Weight | 290.245 g/mol |
| SMILES | C1=CC2=C(C(N(C=N2)C2=CC=CC(C(F)(F)F)=C2)=O)C=C1 |