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trans-1-Methyl-4-((2,2,3,3-tetramethyl-4-phenylcyclobutyl)sulfonyl)benzene
SpectraBase Compound ID 4RZiAwKxna1
InChI InChI=1S/C21H26O2S/c1-15-11-13-17(14-12-15)24(22,23)19-18(16-9-7-6-8-10-16)20(2,3)21(19,4)5/h6-14,18-19H,1-5H3/t18-,19-/m0/s1
InChIKey OUAAROBTAAXWOY-OALUTQOASA-N
Mol Weight 342.5 g/mol
Molecular Formula C21H26O2S
Exact Mass 342.165351 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gtun5RyFpIE
Name trans-1-Methyl-4-((2,2,3,3-tetramethyl-4-phenylcyclobutyl)sulfonyl)benzene
Appearance Colorless solid
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Formula C21H26O2S
InChI InChI=1S/C21H26O2S/c1-15-11-13-17(14-12-15)24(22,23)19-18(16-9-7-6-8-10-16)20(2,3)21(19,4)5/h6-14,18-19H,1-5H3/t18-,19-/m0/s1
InChIKey OUAAROBTAAXWOY-OALUTQOASA-N
Instrument Name Thermo Scientific DFS-HRMS
Ionization Type EI
Literature Reference DOI 10.1021/acs.orglett.1c01794
Molecular Weight 342.497 g/mol
Reported Formula C21H26O2(32)S
SMILES [C@@]1(S(=O)(=O)c2ccc(cc2)C)([C@](c2ccccc2)(C(C)(C)C1(C)C)[H])[H]
SPLASH splash10-001s-4900000000-97973c6738826a0e267e
Source of Spectrum A1-23-SM66-4t
Thin-Layer Chromatography Rf = 0.54 (hexane/EtOAc, 7:3)
Wiley ID 1868077