| SpectraBase Spectrum ID |
B9M0PsVuuL6 |
| Name |
2-Methyl-3-[4-(1,1,2,2-tetrafluoro-ethoxy)-phenyl]-3H-quinazolin-4-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
352.083490284 u |
| Formula |
C17H12F4N2O2 |
| InChI |
InChI=1S/C17H12F4N2O2/c1-10-22-14-5-3-2-4-13(14)15(24)23(10)11-6-8-12(9-7-11)25-17(20,21)16(18)19/h2-9,16H,1H3 |
| InChIKey |
KCNCQEUUAOXEFY-UHFFFAOYSA-N |
| Molecular Weight |
352.289 g/mol |
| SMILES |
C1=CC2=C(C(N(C(=N2)C)C2=CC=C(OC(C(F)F)(F)F)C=C2)=O)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.859579 |
![2-Methyl-3-[4-(1,1,2,2-tetrafluoro-ethoxy)-phenyl]-3H-quinazolin-4-one](/api/spectrum/B9M0PsVuuL6/structure.png?h=300&w=458 "2-Methyl-3-[4-(1,1,2,2-tetrafluoro-ethoxy)-phenyl]-3H-quinazolin-4-one")
