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4-[5,7-Di-tert-butyl-3-(3,3-dimethylbut-1-ynyl)benzofuran-2-yl]benzoic Acid
SpectraBase Compound ID 9phGMzJd9uY
InChI InChI=1S/C29H34O3/c1-27(2,3)15-14-21-22-16-20(28(4,5)6)17-23(29(7,8)9)25(22)32-24(21)18-10-12-19(13-11-18)26(30)31/h10-13,16-17H,1-9H3,(H,30,31)
InChIKey PEFPGOMUFFTXNT-UHFFFAOYSA-N
Mol Weight 430.6 g/mol
Molecular Formula C29H34O3
Exact Mass 430.250795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JUTiw8uKdmt
Name 4-[5,7-Di-tert-butyl-3-(3,3-dimethylbut-1-ynyl)benzofuran-2-yl]benzoic Acid
Alternate Name(s) 4-(5,7-di-tert-butyl-3-(3,3-dimethylbut-1-yn-1-yl)benzofuran-2-yl)benzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H34O3
InChI InChI=1S/C29H34O3/c1-27(2,3)15-14-21-22-16-20(28(4,5)6)17-23(29(7,8)9)25(22)32-24(21)18-10-12-19(13-11-18)26(30)31/h10-13,16-17H,1-9H3,(H,30,31)
InChIKey PEFPGOMUFFTXNT-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cmdc.200900015
Molecular Weight 430.588 g/mol
SMILES OC(=O)c1ccc(-c2oc3c(c2C#CC(C)(C)C)cc(cc3C(C)(C)C)C(C)(C)C)cc1
SPLASH splash10-0159-0000900000-63c6c8ba507525f35b81
Source of Spectrum CMC-4-780/SM8-12h
Wiley ID 1771614