| SpectraBase Spectrum ID |
KIywp75f42O |
| Name |
4-(3-Bromo-4,5-dimethoxy-phenyl)-3,4-dihydro-1H-benzo[H]quinolin-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
411.047006441 u |
| Formula |
C21H18BrNO3 |
| InChI |
InChI=1S/C21H18BrNO3/c1-25-18-10-13(9-17(22)21(18)26-2)16-11-19(24)23-20-14-6-4-3-5-12(14)7-8-15(16)20/h3-10,16H,11H2,1-2H3,(H,23,24) |
| InChIKey |
WAWDHBJYONLCMT-UHFFFAOYSA-N |
| Molecular Weight |
412.283 g/mol |
| SMILES |
C12=C(C(C3=CC(Br)=C(C(=C3)OC)OC)CC(N1)=O)C=CC=1C2=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.942334 |
![4-(3-Bromo-4,5-dimethoxy-phenyl)-3,4-dihydro-1H-benzo[H]quinolin-2-one](/api/spectrum/KIywp75f42O/structure.png?h=300&w=458 "4-(3-Bromo-4,5-dimethoxy-phenyl)-3,4-dihydro-1H-benzo[H]quinolin-2-one")
