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5,7-Di-tert-butyl-3-iodo-2-(naphthalen-1-yl)benzofuran

View entire compound with spectra: 1 NMR, and 1 MS (GC)

5,7-Di-tert-butyl-3-iodo-2-(naphthalen-1-yl)benzofuran
SpectraBase Compound ID AD8xL8Wm89a
InChI InChI=1S/C26H27IO/c1-25(2,3)17-14-20-22(27)24(28-23(20)21(15-17)26(4,5)6)19-13-9-11-16-10-7-8-12-18(16)19/h7-15H,1-6H3
InChIKey SSRCDZKWYSWACY-UHFFFAOYSA-N
Mol Weight 482.41 g/mol
Molecular Formula C26H27IO
Exact Mass 482.11066 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6pE4j709eI8
Name 5,7-di-Tert-butyl-3-iodo-2-naphthalen-1-yl-benzofuran
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 482.110660488 u
Formula C26H27IO
InChI InChI=1S/C26H27IO/c1-25(2,3)17-14-20-22(27)24(28-23(20)21(15-17)26(4,5)6)19-13-9-11-16-10-7-8-12-18(16)19/h7-15H,1-6H3
InChIKey SSRCDZKWYSWACY-UHFFFAOYSA-N
Molecular Weight 482.405 g/mol
SMILES C1(=CC(=C2OC(C=3C=CC=C4C3C=CC=C4)=C(I)C2=C1)C(C)(C)C)C(C)(C)C