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(5-BEZENESULFONYLMETHYL-1-METHYL-CYCLOHEXA-2,4-DIEN-1-YL)-(4-TRIFLUOROMETHYLPHENYL)-METHANOL

View entire compound with spectra: 2 NMR

(5-BEZENESULFONYLMETHYL-1-METHYL-CYCLOHEXA-2,4-DIEN-1-YL)-(4-TRIFLUOROMETHYLPHENYL)-METHANOL
SpectraBase Compound ID 93DrS59EgwK
InChI InChI=1S/C22H21F3O3S/c1-21(20(26)17-9-11-18(12-10-17)22(23,24)25)13-5-6-16(14-21)15-29(27,28)19-7-3-2-4-8-19/h2-13,20,26H,14-15H2,1H3/t20-,21+/m0/s1
InChIKey DXRKOIFYZSAOGM-LEWJYISDSA-N
Mol Weight 422.46 g/mol
Molecular Formula C22H21F3O3S
Exact Mass 422.11635 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KJNBJ5iB9KK
Name (5-BEZENESULFONYLMETHYL-1-METHYL-CYCLOHEXA-2,4-DIEN-1-YL)-(4-TRIFLUOROMETHYLPHENYL)-METHANOL
Compound Number 5M
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H21F3O3S
InChI InChI=1S/C22H21F3O3S/c1-21(20(26)17-9-11-18(12-10-17)22(23,24)25)13-5-6-16(14-21)15-29(27,28)19-7-3-2-4-8-19/h2-13,20,26H,14-15H2,1H3/t20-,21+/m0/s1
InChIKey DXRKOIFYZSAOGM-LEWJYISDSA-N
Literature Reference Author G.HILT,W.HESS,K.HARMS
Literature Reference Citation ORG.LETTERS,8,3287(2006)
Literature Reference DOI 10.1021/ol061153f
Molecular Weight 422.462 g/mol
Sample ID 60615
Solvent CDCl3