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1,2,3-Tris(4-tert-butylphenyl)benzene

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

1,2,3-Tris(4-tert-butylphenyl)benzene
SpectraBase Compound ID 5KES5O5tNIf
InChI InChI=1S/C36H42/c1-34(2,3)28-19-13-25(14-20-28)31-11-10-12-32(26-15-21-29(22-16-26)35(4,5)6)33(31)27-17-23-30(24-18-27)36(7,8)9/h10-24H,1-9H3
InChIKey HSNMZIOWZSXGGO-UHFFFAOYSA-N
Mol Weight 474.7 g/mol
Molecular Formula C36H42
Exact Mass 474.328651 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A78VrsOkYlY
Name 1,2,3-Tris(4-tert-butylphenyl)benzene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 474.328651352 u
Formula C36H42
InChI InChI=1S/C36H42/c1-34(2,3)28-19-13-25(14-20-28)31-11-10-12-32(26-15-21-29(22-16-26)35(4,5)6)33(31)27-17-23-30(24-18-27)36(7,8)9/h10-24H,1-9H3
InChIKey HSNMZIOWZSXGGO-UHFFFAOYSA-N
Molecular Weight 474.732 g/mol
SMILES C=1(C(=C(C=CC1)C=1C=CC(=CC1)C(C)(C)C)C=1C=CC(=CC1)C(C)(C)C)C=1C=CC(=CC1)C(C)(C)C