| SpectraBase Spectrum ID |
BDEW5P6FL9z |
| Name |
2-(4-Fluorophenyl)isoquinoline-1,3,4-trione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
269.048821282 u |
| Formula |
C15H8FNO3 |
| InChI |
InChI=1S/C15H8FNO3/c16-9-5-7-10(8-6-9)17-14(19)12-4-2-1-3-11(12)13(18)15(17)20/h1-8H |
| InChIKey |
XGYDWMQUNKREQV-UHFFFAOYSA-N |
| Molecular Weight |
269.231 g/mol |
| SMILES |
C1(N(C(C2=C(C1=O)C=CC=C2)=O)C=1C=CC(=CC1)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.812334 |
