SpectraBase Spectrum ID |
FjPDGiuvv7l |
Name |
2-[(E)-2-Phenylethenyl]-3-[3-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
394.129297663 u |
Formula |
C23H17F3N2O |
InChI |
InChI=1S/C23H17F3N2O/c24-23(25,26)17-9-6-10-18(15-17)28-21(14-13-16-7-2-1-3-8-16)27-20-12-5-4-11-19(20)22(28)29/h1-15,21,27H/b14-13+ |
InChIKey |
MRYWIDJHVPAQQB-BUHFOSPRSA-N |
Molecular Weight |
394.397 g/mol |
SMILES |
C1=CC=C(\C=C\C2N(C(C=3C=CC=CC3N2)=O)C=2C=C(C(F)(F)F)C=CC2)C=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.855333 |