| SpectraBase Compound ID | INvB7NAuNsT |
|---|---|
| InChI | InChI=1S/C16H11F3N2O/c1-10-20-14-8-3-2-7-13(14)15(22)21(10)12-6-4-5-11(9-12)16(17,18)19/h2-9H,1H3 |
| InChIKey | YNDPTKFEXLQGTM-UHFFFAOYSA-N |
| Mol Weight | 304.27 g/mol |
| Molecular Formula | C16H11F3N2O |
| Exact Mass | 304.082347 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | GurOGwDTJFB |
|---|---|
| Name | 2-Methyl-3-(alpha,alpha,alpha-trifluoro-m-tolyl)-4(3H)-quinazolinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.082347470 u |
| Formula | C16H11F3N2O |
| InChI | InChI=1S/C16H11F3N2O/c1-10-20-14-8-3-2-7-13(14)15(22)21(10)12-6-4-5-11(9-12)16(17,18)19/h2-9H,1H3 |
| InChIKey | YNDPTKFEXLQGTM-UHFFFAOYSA-N |
| Molecular Weight | 304.272 g/mol |
| SMILES | C(F)(F)(F)C=1C=CC=C(C1)N1C(C=2C=CC=CC2N=C1C)=O |