| SpectraBase Spectrum ID |
9G4hcZVz8L9 |
| Name |
2-[(Z)-(5-Bromanyl-1-methyl-2-oxidanylidene-indol-3-ylidene)methyl]-1H-quinazolin-4-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
381.011289636 u |
| Formula |
C18H12BrN3O2 |
| InChI |
InChI=1S/C18H12BrN3O2/c1-22-15-7-6-10(19)8-12(15)13(18(22)24)9-16-20-14-5-3-2-4-11(14)17(23)21-16/h2-9H,1H3,(H,20,21,23)/b13-9- |
| InChIKey |
QHPBZMXPRLWANA-LCYFTJDESA-N |
| Molecular Weight |
382.217 g/mol |
| SMILES |
C1(\C(C2=C(N1C)C=CC(=C2)Br)=C/C=1NC(=O)C2=C(N1)C=CC=C2)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.889807 |
![2-[(Z)-(5-bromanyl-1-methyl-2-oxidanylidene-indol-3-ylidene)methyl]-1H-quinazolin-4-one](/api/spectrum/9G4hcZVz8L9/structure.png?h=300&w=458 "2-[(Z)-(5-bromanyl-1-methyl-2-oxidanylidene-indol-3-ylidene)methyl]-1H-quinazolin-4-one")
