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trans-(4-(Ethylsulfonyl)-2,2,3,3-tetramethylcyclobutyl)benzene
SpectraBase Compound ID LHjvKGjNqjL
InChI InChI=1S/C16H24O2S/c1-6-19(17,18)14-13(12-10-8-7-9-11-12)15(2,3)16(14,4)5/h7-11,13-14H,6H2,1-5H3/t13-,14-/m0/s1
InChIKey HXNVTWRAHVBUPW-KBPBESRZSA-N
Mol Weight 280.43 g/mol
Molecular Formula C16H24O2S
Exact Mass 280.149701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DpjAmyx1Uxx
Name trans-(4-(Ethylsulfonyl)-2,2,3,3-tetramethylcyclobutyl)benzene
Appearance Colorless solid
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Formula C16H24O2S
InChI InChI=1S/C16H24O2S/c1-6-19(17,18)14-13(12-10-8-7-9-11-12)15(2,3)16(14,4)5/h7-11,13-14H,6H2,1-5H3/t13-,14-/m0/s1
InChIKey HXNVTWRAHVBUPW-KBPBESRZSA-N
Instrument Name Thermo Scientific DFS-HRMS
Ionization Type EI
Literature Reference DOI 10.1021/acs.orglett.1c01794
Reported Formula C16H24O2(32)S
SMILES [C@@]1(S(=O)(=O)CC)([C@](c2ccccc2)(C(C)(C)C1(C)C)[H])[H]
SPLASH splash10-001j-4900000000-26014e24f3e38c2480fe
Sample Comments dr = 89:11
Source of Spectrum A1-23-SM63-4q
Thin-Layer Chromatography Rf = 0.51 (hexane/EtOAc, 2:1)
Wiley ID 1868074