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(Z/E)-N-[3-(Anthracen-9-yl)-2-fluoro-2-propenyl]-isoindole-1,3-dione
SpectraBase Compound ID Lj0UC8QsiIS
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
Mol Weight 381.41 g/mol
Molecular Formula C25H16FNO2
Exact Mass 381.116507 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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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
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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