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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
Mol Weight 450.58 g/mol
Molecular Formula C31H30O3
Exact Mass 450.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9FJmIqIX8Oj
Name 4-[5,7-Di-tert-butyl-3-(phenylethynyl)benzofuran-2-yl]benzoic Acid
Alternate Name(s) 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
Wiley ID 1771615