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2,2'-Bis(3'',5''-di-tert-butylstryl)biphenyl

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2,2'-Bis(3'',5''-di-tert-butylstryl)biphenyl
SpectraBase Compound ID 98RuSaTV5p8
InChI InChI=1S/C44H54/c1-41(2,3)35-25-31(26-36(29-35)42(4,5)6)21-23-33-17-13-15-19-39(33)40-20-16-14-18-34(40)24-22-32-27-37(43(7,8)9)30-38(28-32)44(10,11)12/h13-30H,1-12H3/b23-21+,24-22+
InChIKey YAYACSCLZAABEW-MBALSZOMSA-N
Mol Weight 582.9 g/mol
Molecular Formula C44H54
Exact Mass 582.422552 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D5OXYcM2qzq
Name 2,2'-bis(3'',5''-di-Tert-butylstryl)biphenyl
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 582.422551739 u
Formula C44H54
InChI InChI=1S/C44H54/c1-41(2,3)35-25-31(26-36(29-35)42(4,5)6)21-23-33-17-13-15-19-39(33)40-20-16-14-18-34(40)24-22-32-27-37(43(7,8)9)30-38(28-32)44(10,11)12/h13-30H,1-12H3/b23-21+,24-22+
InChIKey YAYACSCLZAABEW-MBALSZOMSA-N
Molecular Weight 582.916 g/mol
SMILES C1(=CC(C(C)(C)C)=CC(\C=C\C2=C(C3=C(\C=C\C4=CC(C(C)(C)C)=CC(=C4)C(C)(C)C)C=CC=C3)C=CC=C2)=C1)C(C)(C)C