SpectraBase Spectrum ID |
7Z6ATZQGVpB |
Name |
1H-Isoindole-1,3(2H)-dione, 2-(4-fluorophenyl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
241.053906663 u |
Formula |
C14H8FNO2 |
InChI |
InChI=1S/C14H8FNO2/c15-9-5-7-10(8-6-9)16-13(17)11-3-1-2-4-12(11)14(16)18/h1-8H |
InChIKey |
QWWFWKBCBKKEAG-UHFFFAOYSA-N |
Molecular Weight |
241.221 g/mol |
SMILES |
C1=C2C(=CC=C1)C(=O)N(C2=O)C1=CC=C(C=C1)F |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.900526 |