SpectraBase Spectrum ID |
A8jxQ1pHeAs |
Name |
Z-3-(2-Phenylethyl)-3,4-dihydroquinazolin-4-one;Z-bogorin |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
248.094963013 u |
Formula |
C16H12N2O |
InChI |
InChI=1S/C16H12N2O/c19-16-14-8-4-5-9-15(14)17-12-18(16)11-10-13-6-2-1-3-7-13/h1-12H/b11-10- |
InChIKey |
UVOZYROPWVOTEY-KHPPLWFESA-N |
Molecular Weight |
248.285 g/mol |
SMILES |
C=1N(C(C=2C(N1)=CC=CC2)=O)\C=C/C1=CC=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.854684 |