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1,2-Difluoro-3,4,5,6-tetrakis(4-tert-butylphenyl)benzene

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

1,2-Difluoro-3,4,5,6-tetrakis(4-tert-butylphenyl)benzene
SpectraBase Compound ID Kbh5p1ZYRds
InChI InChI=1S/C46H52F2/c1-43(2,3)33-21-13-29(14-22-33)37-38(30-15-23-34(24-16-30)44(4,5)6)40(32-19-27-36(28-20-32)46(10,11)12)42(48)41(47)39(37)31-17-25-35(26-18-31)45(7,8)9/h13-28H,1-12H3
InChIKey ZUFZLMRGZFHRQU-UHFFFAOYSA-N
Mol Weight 642.9 g/mol
Molecular Formula C46H52F2
Exact Mass 642.403708 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CYrXvv5fBUY
Name 1,2-Difluoro-3,4,5,6-tetrakis(4-tert-butylphenyl)benzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 642.403708000 u
Formula C46H52F2
InChI InChI=1S/C46H52F2/c1-43(2,3)33-21-13-29(14-22-33)37-38(30-15-23-34(24-16-30)44(4,5)6)40(32-19-27-36(28-20-32)46(10,11)12)42(48)41(47)39(37)31-17-25-35(26-18-31)45(7,8)9/h13-28H,1-12H3
InChIKey ZUFZLMRGZFHRQU-UHFFFAOYSA-N
Molecular Weight 642.919 g/mol
SMILES C=1(C(=C(C(=C(C1C=1C=CC(=CC1)C(C)(C)C)C=1C=CC(=CC1)C(C)(C)C)C=1C=CC(=CC1)C(C)(C)C)C=1C=CC(=CC1)C(C)(C)C)F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.947399