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(3R*,4R*)-3,4-EPOXY-4-(HYDROXYPHENYL)-METHYL-1-PHENYL-3-TRIFLUOROMETHYL-OCT-1-YNE;MAJOR-ISOMER
SpectraBase Compound ID FF7Rl2f1X5d
InChI InChI=1S/C22H21F3O2/c1-2-3-15-20(19(26)18-12-8-5-9-13-18)21(27-20,22(23,24)25)16-14-17-10-6-4-7-11-17/h4-13,19,26H,2-3,15H2,1H3/t19?,20-,21-/m0/s1
InChIKey ITKHYOGCABGABY-AKQSQHNNSA-N
Mol Weight 374.4 g/mol
Molecular Formula C22H21F3O2
Exact Mass 374.149364 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3KoUlq56NIJ
Name (3R*,4R*)-3,4-EPOXY-4-(HYDROXYPHENYL)-METHYL-1-PHENYL-3-TRIFLUOROMETHYL-OCT-1-YNE;MINOR-ISOMER
Compound Number 3I
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H21F3O2
InChI InChI=1S/C22H21F3O2/c1-2-3-15-20(19(26)18-12-8-5-9-13-18)21(27-20,22(23,24)25)16-14-17-10-6-4-7-11-17/h4-13,19,26H,2-3,15H2,1H3/t19?,20-,21-/m0/s1
InChIKey ITKHYOGCABGABY-AKQSQHNNSA-N
Literature Reference Author M.SHIMIZU,T.FUJIMOTO,H.MINEZAKI,T.HATA,T.HIYAMA
Literature Reference Citation J.AM.CHEM.SOC.,123,6947(2001)
Literature Reference DOI 10.1021/ja016077k
Solvent CDCl3
Source File Reference UWVN28076