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trans-1-Methoxy-4-(2,2,3,3-tetramethyl-4-(phenylsulfonyl)cyclobutyl)benzene
SpectraBase Compound ID BMsyi0yUZK
InChI InChI=1S/C21H26O3S/c1-20(2)18(15-11-13-16(24-5)14-12-15)19(21(20,3)4)25(22,23)17-9-7-6-8-10-17/h6-14,18-19H,1-5H3/t18-,19-/m0/s1
InChIKey NJZFPZJXELFCQE-OALUTQOASA-N
Mol Weight 358.5 g/mol
Molecular Formula C21H26O3S
Exact Mass 358.160266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E4Qf90qz1BP
Name trans-1-Methoxy-4-(2,2,3,3-tetramethyl-4-(phenylsulfonyl)cyclobutyl)benzene
Appearance Colorless solid
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Formula C21H26O3S
InChI InChI=1S/C21H26O3S/c1-20(2)18(15-11-13-16(24-5)14-12-15)19(21(20,3)4)25(22,23)17-9-7-6-8-10-17/h6-14,18-19H,1-5H3/t18-,19-/m0/s1
InChIKey NJZFPZJXELFCQE-OALUTQOASA-N
Instrument Name Thermo Scientific DFS-HRMS
Ionization Type EI
Literature Reference DOI 10.1021/acs.orglett.1c01794
Molecular Weight 358.496 g/mol
Reported Formula C21H26O3(32)S
SMILES [C@@]1(S(=O)(=O)c2ccccc2)([C@](c2ccc(cc2)OC)(C(C)(C)C1(C)C)[H])[H]
SPLASH splash10-001i-8980000000-b9ffec92e3f29601ae66
Source of Spectrum A1-23-SM47-4b
Thin-Layer Chromatography Rf = 0.67 (hexane/EtOAc, 1:1)
Wiley ID 1868060