| SpectraBase Spectrum ID |
Ka9UKejn4oj |
| Name |
6-Bromo-3-(4-hydroxy-3,5-xylyl)-2-methyl-4(3H)-quinazolinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
358.031690729 u |
| Formula |
C17H15BrN2O2 |
| InChI |
InChI=1S/C17H15BrN2O2/c1-9-6-13(7-10(2)16(9)21)20-11(3)19-15-5-4-12(18)8-14(15)17(20)22/h4-8,21H,1-3H3 |
| InChIKey |
PBXWMYRTSVLMAI-UHFFFAOYSA-N |
| Molecular Weight |
359.223 g/mol |
| SMILES |
OC=1C(=CC(=CC1C)N1C(=NC=2C=CC(=CC2C1=O)Br)C)C |
| Spectrum/Structure Validation Score (Raman) |
0.707728 |
