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

SpectraBase Compound ID	Ip2dpLHrtOp
InChI	InChI=1S/C34H32N2O/c1-33(2,3)26-16-12-23(13-17-26)28-29(25(20-35)21-36)31(24-14-18-27(19-15-24)34(4,5)6)32(37)30(28)22-10-8-7-9-11-22/h7-19,31H,1-6H3
InChIKey	CJSCWBQCWSKDHM-UHFFFAOYSA-N Google Search
Mol Weight	484.6 g/mol
Molecular Formula	C34H32N2O
Exact Mass	484.251464 g/mol

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SpectraBase Spectrum ID	8KPlS9ipYb4
Name	Propanedinitrile, [2,5-bis[4-(1,1-dimethylethyl)phenyl]-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	484.251463657 u
Formula	C34H32N2O
InChI	InChI=1S/C34H32N2O/c1-33(2,3)26-16-12-23(13-17-26)28-29(25(20-35)21-36)31(24-14-18-27(19-15-24)34(4,5)6)32(37)30(28)22-10-8-7-9-11-22/h7-19,31H,1-6H3
InChIKey	CJSCWBQCWSKDHM-UHFFFAOYSA-N
Molecular Weight	484.643 g/mol
SMILES	C1(C(=C(C2=CC=CC=C2)C(C1C=1C=CC(C(C)(C)C)=CC1)=O)C1=CC=C(C(C)(C)C)C=C1)=C(C#N)C#N
Spectrum/Structure Validation Score (Vapor Phase IR)	0.953626