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trans-2-(2,2,3,3-Tetramethyl-4-(phenylsulfonyl)cyclobutyl)thiophene
SpectraBase Compound ID EY1M6oYlgqL
InChI InChI=1S/C18H22O2S2/c1-17(2)15(14-11-8-12-21-14)16(18(17,3)4)22(19,20)13-9-6-5-7-10-13/h5-12,15-16H,1-4H3/t15-,16-/m0/s1
InChIKey DGYNMFNGUXJMFR-HOTGVXAUSA-N
Mol Weight 334.49 g/mol
Molecular Formula C18H22O2S2
Exact Mass 334.106122 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7G8ZRSWCHQA
Name trans-2-(2,2,3,3-Tetramethyl-4-(phenylsulfonyl)cyclobutyl)thiophene
Appearance Colorless solid
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Formula C18H22O2S2
InChI InChI=1S/C18H22O2S2/c1-17(2)15(14-11-8-12-21-14)16(18(17,3)4)22(19,20)13-9-6-5-7-10-13/h5-12,15-16H,1-4H3/t15-,16-/m0/s1
InChIKey DGYNMFNGUXJMFR-HOTGVXAUSA-N
Instrument Name Thermo Scientific DFS-HRMS
Ionization Type EI
Literature Reference DOI 10.1021/acs.orglett.1c01794
Molecular Weight 334.492 g/mol
Reported Formula C18H22O2(32)S2
SMILES [C@@]1(S(=O)(=O)c2ccccc2)([C@](c2sccc2)(C(C)(C)C1(C)C)[H])[H]
SPLASH splash10-0536-7900000000-d53b75415489357f559a
Sample Comments dr = 93:7
Source of Spectrum A1-23-SM58-4m
Thin-Layer Chromatography Rf = 0.38 (hexane/EtOAc, 4:1)
Wiley ID 1868070