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trans-((3,3-Dicyclopropyl-2-phenylcyclobutyl)sulfonyl)benzene
SpectraBase Compound ID Cf98pekh8R
InChI InChI=1S/C22H24O2S/c23-25(24,19-9-5-2-6-10-19)20-15-22(17-11-12-17,18-13-14-18)21(20)16-7-3-1-4-8-16/h1-10,17-18,20-21H,11-15H2/t20-,21+/m1/s1
InChIKey YXUXUBJXXVQROH-RTWAWAEBSA-N
Mol Weight 352.49 g/mol
Molecular Formula C22H24O2S
Exact Mass 352.149701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JbKPHNoK7fM
Name trans-((3,3-Dicyclopropyl-2-phenylcyclobutyl)sulfonyl)benzene
Appearance Colorless oil
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Formula C22H24O2S
InChI InChI=1S/C22H24O2S/c23-25(24,19-9-5-2-6-10-19)20-15-22(17-11-12-17,18-13-14-18)21(20)16-7-3-1-4-8-16/h1-10,17-18,20-21H,11-15H2/t20-,21+/m1/s1
InChIKey YXUXUBJXXVQROH-RTWAWAEBSA-N
Instrument Name Thermo Scientific DFS-HRMS
Ionization Type EI
Literature Reference DOI 10.1021/acs.orglett.1c01794
Molecular Weight 352.492 g/mol
Reported Formula C22H24O2(32)S
SMILES [C@]1([C@@](C(C1)(C1CC1)C1CC1)(c1ccccc1)[H])(S(c1ccccc1)(=O)=O)[H]
SPLASH splash10-02tc-4930000000-ce18c9fc71a6cedea913
Sample Comments dr = 83:17
Source of Spectrum A1-23-SM72-5c
Thin-Layer Chromatography Rf = 0.46 (hexane/EtOAc, 4:1)
Wiley ID 1868082