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4-[3-(Biphenyl-4-yl)-5,7-di-tert-butylbenzofuran-2-yl]benzoic Acid
SpectraBase Compound ID C5mY1jwiR7i
InChI InChI=1S/C35H34O3/c1-34(2,3)27-20-28-30(24-14-12-23(13-15-24)22-10-8-7-9-11-22)31(25-16-18-26(19-17-25)33(36)37)38-32(28)29(21-27)35(4,5)6/h7-21H,1-6H3,(H,36,37)
InChIKey VBEDNNAGJQMDIR-UHFFFAOYSA-N
Mol Weight 502.7 g/mol
Molecular Formula C35H34O3
Exact Mass 502.250795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EOFegNIL6Bs
Name 4-[3-(Biphenyl-4-yl)-5,7-di-tert-butylbenzofuran-2-yl]benzoic Acid
Alternate Name(s) 4-(3-([1,1'-biphenyl]-4-yl)-5,7-di-tert-butylbenzofuran-2-yl)benzoic acid
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Formula C35H34O3
InChI InChI=1S/C35H34O3/c1-34(2,3)27-20-28-30(24-14-12-23(13-15-24)22-10-8-7-9-11-22)31(25-16-18-26(19-17-25)33(36)37)38-32(28)29(21-27)35(4,5)6/h7-21H,1-6H3,(H,36,37)
InChIKey VBEDNNAGJQMDIR-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cmdc.200900015
Molecular Weight 502.654 g/mol
SMILES OC(=O)c1ccc(cc1)-c1oc2c(c1-c1ccc(cc1)-c1ccccc1)cc(cc2C(C)(C)C)C(C)(C)C
SPLASH splash10-03di-9000000000-ea1d315746d352c05e77
Source of Spectrum CMC-4-780/SM8-12d
Wiley ID 1771610