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5-BIS-[ALPHA,ALPHA-BIS-(TRIFLUOROMETHYL)-BENZENEMETHANOLATO]-10-PHENYLPHENOTHIAZINE

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5-BIS-[ALPHA,ALPHA-BIS-(TRIFLUOROMETHYL)-BENZENEMETHANOLATO]-10-PHENYLPHENOTHIAZINE
SpectraBase Compound ID CBZnHyy1LkC
InChI InChI=1S/C36H23F12NO2S/c37-33(38,39)31(34(40,41)42,24-14-4-1-5-15-24)50-52(51-32(35(43,44)45,36(46,47)48)25-16-6-2-7-17-25)29-22-12-10-20-27(29)49(26-18-8-3-9-19-26)28-21-11-13-23-30(28)52/h1-23H
InChIKey JSPCXFRRWOJJOR-UHFFFAOYSA-N
Mol Weight 761.6 g/mol
Molecular Formula C36H23F12NO2S
Exact Mass 761.125788 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LTtZTBQNhIk
Name 5-BIS-[ALPHA,ALPHA-BIS-(TRIFLUOROMETHYL)-BENZENEMETHANOLATO]-10-PHENYLPHENOTHIAZINE
CAS Registry Number 7152-42-3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H23F12NO2S
InChI InChI=1S/C36H23F12NO2S/c37-33(38,39)31(34(40,41)42,24-14-4-1-5-15-24)50-52(51-32(35(43,44)45,36(46,47)48)25-16-6-2-7-17-25)29-22-12-10-20-27(29)49(26-18-8-3-9-19-26)28-21-11-13-23-30(28)52/h1-23H
InChIKey JSPCXFRRWOJJOR-UHFFFAOYSA-N
Literature Reference Author E.F.PEROZZI,J.C.MARTIN
Literature Reference Citation J.ORG.CHEM.,42,3222(1977)
Literature Reference DOI 10.1021/jo00440a003
Solvent ETHER
Source File Reference UWPS1247