4-[5,7-Di-tert-butyl-3-(phenylethynyl)benzofuran-2-yl]benzoic Acid

SpectraBase Compound ID	CJfcEmbf2np
InChI	InChI=1S/C31H30O3/c1-30(2,3)23-18-25-24(17-12-20-10-8-7-9-11-20)27(21-13-15-22(16-14-21)29(32)33)34-28(25)26(19-23)31(4,5)6/h7-11,13-16,18-19H,1-6H3,(H,32,33)
InChIKey	AEEIGFJFCLUWNE-UHFFFAOYSA-N Google Search
Mol Weight	450.58 g/mol
Molecular Formula	C31H30O3
Exact Mass	450.219495 g/mol

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SpectraBase Spectrum ID	9FJmIqIX8Oj
Name	4-[5,7-Di-tert-butyl-3-(phenylethynyl)benzofuran-2-yl]benzoic Acid
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C31H30O3
InChI	InChI=1S/C31H30O3/c1-30(2,3)23-18-25-24(17-12-20-10-8-7-9-11-20)27(21-13-15-22(16-14-21)29(32)33)34-28(25)26(19-23)31(4,5)6/h7-11,13-16,18-19H,1-6H3,(H,32,33)
InChIKey	AEEIGFJFCLUWNE-UHFFFAOYSA-N
Literature Reference DOI	10.1002/cmdc.200900015
Molecular Weight	450.578 g/mol
SMILES	OC(=O)c1ccc(cc1)-c1oc2c(c1C#Cc1ccccc1)cc(cc2C(C)(C)C)C(C)(C)C
SPLASH	splash10-0iki-7400900000-382b9feeb72530e16b0d
Source of Spectrum	CMC-4-780/SM8-12i
Synonyms	4-(5,7-di-tert-butyl-3-(phenylethynyl)benzofuran-2-yl)benzoic acid
Wiley ID	1771615