| SpectraBase Spectrum ID |
AlhVO3UPGci |
| Name |
2-(Bromomethyl)-3-[2-(bromomethyl)-4-keto-quinazolin-3-yl]quinazolin-4-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
473.932701640 u |
| Formula |
C18H12Br2N4O2 |
| InChI |
InChI=1S/C18H12Br2N4O2/c19-9-15-21-13-7-3-1-5-11(13)17(25)23(15)24-16(10-20)22-14-8-4-2-6-12(14)18(24)26/h1-8H,9-10H2 |
| InChIKey |
LAMYYWMQFZXCDR-UHFFFAOYSA-N |
| Molecular Weight |
476.128 g/mol |
| SMILES |
C1(N(N2C(C=3C=CC=CC3N=C2CBr)=O)C(=NC=2C=CC=CC12)CBr)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.958755 |
![2-(Bromomethyl)-3-[2-(bromomethyl)-4-keto-quinazolin-3-yl]quinazolin-4-one](/api/spectrum/AlhVO3UPGci/structure.png?h=300&w=458 "2-(Bromomethyl)-3-[2-(bromomethyl)-4-keto-quinazolin-3-yl]quinazolin-4-one")
