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trans-2-(2,2,3,3-Tetramethyl-4-(phenylsulfonyl)cyclobutyl)furan
SpectraBase Compound ID A4JOEU9iX8T
InChI InChI=1S/C18H22O3S/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 FPPUQNKSLZIZFJ-HOTGVXAUSA-N
Mol Weight 318.43 g/mol
Molecular Formula C18H22O3S
Exact Mass 318.128966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 24DC4XyVgX6
Name trans-2-(2,2,3,3-Tetramethyl-4-(phenylsulfonyl)cyclobutyl)furan
Appearance Colorless solid
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Formula C18H22O3S
InChI InChI=1S/C18H22O3S/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 FPPUQNKSLZIZFJ-HOTGVXAUSA-N
Instrument Name Thermo Scientific DFS-HRMS
Ionization Type EI
Literature Reference DOI 10.1021/acs.orglett.1c01794
Molecular Weight 318.431 g/mol
Reported Formula C18H22O3(32)S
SMILES [C@@]1(S(=O)(=O)c2ccccc2)([C@](c2occc2)(C(C)(C)C1(C)C)[H])[H]
SPLASH splash10-001i-9300000000-ecc477ddb3b4b1ddf587
Sample Comments dr = 96:4
Source of Spectrum A1-23-SM59-4n
Thin-Layer Chromatography Rf = 0.44 (hexane/EtOAc, 4:1)
Wiley ID 1868071