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trans-1-Methyl-4-(2,2,3,3-tetramethyl-4-(phenylsulfonyl)cyclobutyl)benzene
SpectraBase Compound ID Cmd6ODG7rTS
InChI InChI=1S/C21H26O2S/c1-15-11-13-16(14-12-15)18-19(21(4,5)20(18,2)3)24(22,23)17-9-7-6-8-10-17/h6-14,18-19H,1-5H3/t18-,19-/m0/s1
InChIKey QNYAMUWQFPSTSA-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 7Arbl9zOW1V
Name trans-1-Methyl-4-(2,2,3,3-tetramethyl-4-(phenylsulfonyl)cyclobutyl)benzene
Appearance Colorless solid
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Formula C21H26O2S
InChI InChI=1S/C21H26O2S/c1-15-11-13-16(14-12-15)18-19(21(4,5)20(18,2)3)24(22,23)17-9-7-6-8-10-17/h6-14,18-19H,1-5H3/t18-,19-/m0/s1
InChIKey QNYAMUWQFPSTSA-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)c2ccccc2)([C@](c2ccc(cc2)C)(C(C)(C)C1(C)C)[H])[H]
SPLASH splash10-0pc1-2940000000-fbd8492299a5fa2a1b5f
Sample Comments dr = 98:2
Source of Spectrum A1-23-SM48-4c
Thin-Layer Chromatography Rf = 0.57 (hexane/EtOAc, 2/1)
Wiley ID 1868061