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trans-4-(2,2,3,3-Tetramethyl-4-(phenylsulfonyl)cyclobutyl)-1,1'-biphenyl
SpectraBase Compound ID 1dUBuGqXziQ
InChI InChI=1S/C26H28O2S/c1-25(2)23(21-17-15-20(16-18-21)19-11-7-5-8-12-19)24(26(25,3)4)29(27,28)22-13-9-6-10-14-22/h5-18,23-24H,1-4H3/t23-,24-/m0/s1
InChIKey PRVXGMCJJKQRSU-ZEQRLZLVSA-N
Mol Weight 404.57 g/mol
Molecular Formula C26H28O2S
Exact Mass 404.181001 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1JzrtRZKlXB
Name trans-4-(2,2,3,3-Tetramethyl-4-(phenylsulfonyl)cyclobutyl)-1,1'-biphenyl
Appearance Colorless solid
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Formula C26H28O2S
InChI InChI=1S/C26H28O2S/c1-25(2)23(21-17-15-20(16-18-21)19-11-7-5-8-12-19)24(26(25,3)4)29(27,28)22-13-9-6-10-14-22/h5-18,23-24H,1-4H3/t23-,24-/m0/s1
InChIKey PRVXGMCJJKQRSU-ZEQRLZLVSA-N
Instrument Name Thermo Scientific DFS-HRMS
Ionization Type EI
Literature Reference DOI 10.1021/acs.orglett.1c01794
Molecular Weight 404.568 g/mol
Reported Formula C26H28O2(32)S
SMILES [C@@]1(S(=O)(=O)c2ccccc2)([C@](c2ccc(cc2)-c2ccccc2)(C(C)(C)C1(C)C)[H])[H]
SPLASH splash10-03k9-0293000000-c4252e50e7827cf74e81
Sample Comments dr = 96:4
Source of Spectrum A1-23-SM51-4f
Thin-Layer Chromatography Rf = 0.41 (hexane/EtOAc, 4:1)
Wiley ID 1868064