4,5-bis[(t-Butyl)phenylethynyl]-phthalonitrile

SpectraBase Compound ID	KDuj8IL0voA
InChI	InChI=1S/C32H28N2/c1-31(2,3)29-15-9-23(10-16-29)7-13-25-19-27(21-33)28(22-34)20-26(25)14-8-24-11-17-30(18-12-24)32(4,5)6/h9-12,15-20H,1-6H3
InChIKey	QHBJCOSSUNNOBH-UHFFFAOYSA-N Google Search
Mol Weight	440.6 g/mol
Molecular Formula	C32H28N2
Exact Mass	440.225249 g/mol

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SpectraBase Spectrum ID	6qDjAaUBYNG
Name	4,5-bis[(t-Butyl)phenylethynyl]-phthalonitrile
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C32H28N2
InChI	InChI=1S/C32H28N2/c1-31(2,3)29-15-9-23(10-16-29)7-13-25-19-27(21-33)28(22-34)20-26(25)14-8-24-11-17-30(18-12-24)32(4,5)6/h9-12,15-20H,1-6H3
InChIKey	QHBJCOSSUNNOBH-UHFFFAOYSA-N
Molecular Weight	440.590 g/mol
SMILES	C(#Cc1ccc(C(C)(C)C)cc1)c1c(C#Cc2ccc(C(C)(C)C)cc2)cc(C#N)c(c1)C#N
SPLASH	splash10-004l-0000900000-713c68f6d8c2f301ad83
Source of Spectrum	I-79-884-9
Synonyms	4,5-bis[(2-tert-butylphenyl)ethynyl]phthalonitrile 4,5-bis[4-(t-Butyl)phenylethynyl]-phthalonitrile
Wiley ID	813058