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trans-(4-(tert-Butylsulfonyl)-2,2,3,3-tetramethylcyclobutyl)benzene
SpectraBase Compound ID 1G47VwC0pOR
InChI InChI=1S/C18H28O2S/c1-16(2,3)21(19,20)15-14(13-11-9-8-10-12-13)17(4,5)18(15,6)7/h8-12,14-15H,1-7H3/t14-,15-/m0/s1
InChIKey POYVTORAJAKREC-GJZGRUSLSA-N
Mol Weight 308.48 g/mol
Molecular Formula C18H28O2S
Exact Mass 308.181001 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1bbVxyVmAi
Name trans-(4-(tert-Butylsulfonyl)-2,2,3,3-tetramethylcyclobutyl)benzene
Appearance Colorless solid
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Formula C18H28O2S
InChI InChI=1S/C18H28O2S/c1-16(2,3)21(19,20)15-14(13-11-9-8-10-12-13)17(4,5)18(15,6)7/h8-12,14-15H,1-7H3/t14-,15-/m0/s1
InChIKey POYVTORAJAKREC-GJZGRUSLSA-N
Instrument Name Thermo Scientific DFS-HRMS
Ionization Type EI
Literature Reference DOI 10.1021/acs.orglett.1c01794
Molecular Weight 308.480 g/mol
Reported Formula C18H28O2(32)S
SMILES [C@@]1(S(=O)(=O)C(C)(C)C)([C@](c2ccccc2)(C(C)(C)C1(C)C)[H])[H]
SPLASH splash10-001s-2900000000-ddfedae2208637e9e64e
Sample Comments dr = 91:9
Source of Spectrum A1-23-SM65-4s
Thin-Layer Chromatography Rf = 0.62 (hexane/EtOAc, 2:1)
Wiley ID 1868076