| SpectraBase Spectrum ID |
priJbqnATN |
| Name |
(Z/E)-N-[3-(Anthracen-9-yl)-2-fluoro-2-propenyl]-isoindole-1,3-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
381.116506920 u |
| Formula |
C25H16FNO2 |
| InChI |
InChI=1S/C25H16FNO2/c26-18(15-27-24(28)21-11-5-6-12-22(21)25(27)29)14-23-19-9-3-1-7-16(19)13-17-8-2-4-10-20(17)23/h1-14H,15H2/b18-14- |
| InChIKey |
LGKIMQFRWDQTQI-JXAWBTAJSA-N |
| Molecular Weight |
381.406 g/mol |
| SMILES |
C1(N(C(C=2C=CC=CC12)=O)C\C(=C\C=1C2=C(C=CC=C2)C=C2C1C=CC=C2)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.939029 |