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trans-1-(tert-Butyl)-4-(2,2,3,3-tetramethyl-4-(phenylsulfonyl)cyclobutyl)benzene
SpectraBase Compound ID Cee8kMW0FEp
InChI InChI=1S/C24H32O2S/c1-22(2,3)18-15-13-17(14-16-18)20-21(24(6,7)23(20,4)5)27(25,26)19-11-9-8-10-12-19/h8-16,20-21H,1-7H3/t20-,21-/m0/s1
InChIKey KPCPSMSORYNTNP-SFTDATJTSA-N
Mol Weight 384.6 g/mol
Molecular Formula C24H32O2S
Exact Mass 384.212301 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 989HlZoRh3r
Name trans-1-(tert-Butyl)-4-(2,2,3,3-tetramethyl-4-(phenylsulfonyl)cyclobutyl)benzene
Appearance Colorless solid
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Formula C24H32O2S
InChI InChI=1S/C24H32O2S/c1-22(2,3)18-15-13-17(14-16-18)20-21(24(6,7)23(20,4)5)27(25,26)19-11-9-8-10-12-19/h8-16,20-21H,1-7H3/t20-,21-/m0/s1
InChIKey KPCPSMSORYNTNP-SFTDATJTSA-N
Instrument Name Thermo Scientific DFS-HRMS
Ionization Type EI
Literature Reference DOI 10.1021/acs.orglett.1c01794
Molecular Weight 384.578 g/mol
Reported Formula C24H32O2(32)S
SMILES [C@@]1(S(=O)(=O)c2ccccc2)([C@](c2ccc(cc2)C(C)(C)C)(C(C)(C)C1(C)C)[H])[H]
SPLASH splash10-0a4l-9000000000-3b38cf7d9dae17122b10
Sample Comments dr = 98:2
Source of Spectrum A1-23-SM50-4e
Thin-Layer Chromatography Rf = 0.44 (hexane/EtOAc, 4:1)
Wiley ID 1868063