Propanedinitrile, [2,5-bis(4-fluorophenyl)-4-oxo-3-phenyl-2-cyclopenten-1-ylidene]-

SpectraBase Compound ID	BRnrtN96VqD
InChI	InChI=1S/C26H14F2N2O/c27-20-10-6-17(7-11-20)22-23(19(14-29)15-30)25(18-8-12-21(28)13-9-18)26(31)24(22)16-4-2-1-3-5-16/h1-13,25H
InChIKey	HWQHESSWLVNCLP-UHFFFAOYSA-N Google Search
Mol Weight	408.41 g/mol
Molecular Formula	C26H14F2N2O
Exact Mass	408.107419 g/mol

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SpectraBase Spectrum ID	J8g2Qg6UViW
Name	Propanedinitrile, [2,5-bis(4-fluorophenyl)-4-oxo-3-phenyl-2-cyclopenten-1-ylidene]-
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	408.107419404 u
Formula	C26H14F2N2O
InChI	InChI=1S/C26H14F2N2O/c27-20-10-6-17(7-11-20)22-23(19(14-29)15-30)25(18-8-12-21(28)13-9-18)26(31)24(22)16-4-2-1-3-5-16/h1-13,25H
InChIKey	HWQHESSWLVNCLP-UHFFFAOYSA-N
Molecular Weight	408.408 g/mol
SMILES	C1(C(=C(C2=CC=CC=C2)C(C1C1=CC=C(C=C1)F)=O)C=1C=CC(=CC1)F)=C(C#N)C#N
Spectrum/Structure Validation Score (Vapor Phase IR)	0.88809