| SpectraBase Spectrum ID |
9EXamKdqHaQ |
| Name |
2-(2-Bromophenyl)-4H-isoquinoline-1,3-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
314.989491564 u |
| Formula |
C15H10BrNO2 |
| InChI |
InChI=1S/C15H10BrNO2/c16-12-7-3-4-8-13(12)17-14(18)9-10-5-1-2-6-11(10)15(17)19/h1-8H,9H2 |
| InChIKey |
NTHUUXAHNAJLIJ-UHFFFAOYSA-N |
| Molecular Weight |
316.154 g/mol |
| SMILES |
C1(N(C(CC=2C=CC=CC12)=O)C=1C(=CC=CC1)Br)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.878782 |
