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4-(5,7-Di-tert-butyl-3-iodobenzofuran-2-yl)benzoic Acid
SpectraBase Compound ID 5hncS68KQCf
InChI InChI=1S/C23H25IO3/c1-22(2,3)15-11-16-18(24)19(13-7-9-14(10-8-13)21(25)26)27-20(16)17(12-15)23(4,5)6/h7-12H,1-6H3,(H,25,26)
InChIKey IHXCHUAVCYKSOZ-UHFFFAOYSA-N
Mol Weight 476.35 g/mol
Molecular Formula C23H25IO3
Exact Mass 476.08484 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HyZSTWRxBOO
Name 4-(5,7-Di-tert-butyl-3-iodobenzofuran-2-yl)benzoic Acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H25IO3
InChI InChI=1S/C23H25IO3/c1-22(2,3)15-11-16-18(24)19(13-7-9-14(10-8-13)21(25)26)27-20(16)17(12-15)23(4,5)6/h7-12H,1-6H3,(H,25,26)
InChIKey IHXCHUAVCYKSOZ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cmdc.200900015
Molecular Weight 476.354 g/mol
SMILES OC(=O)c1ccc(cc1)-c1oc2c(c1I)cc(cc2C(C)(C)C)C(C)(C)C
SPLASH splash10-03di-8000900000-4a12046100a08047fd21
Source of Spectrum CMC-4-780/SM7-39
Wiley ID 1771620