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(4-TRIFLUOROMETHYL-DIPHENYL)-(ISOTHIAZOL-5-YL)-CARBINOL
SpectraBase Compound ID 8bDVXT5S6t6
InChI InChI=1S/C17H12F3NOS/c18-17(19,20)14-8-6-13(7-9-14)16(22,15-10-11-21-23-15)12-4-2-1-3-5-12/h1-11,22H
InChIKey NFGHUDKMDCSMIL-UHFFFAOYSA-N
Mol Weight 335.34 g/mol
Molecular Formula C17H12F3NOS
Exact Mass 335.05917 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C48zraTChTM
Name (4-TRIFLUOROMETHYL-DIPHENYL)-(ISOTHIAZOL-5-YL)-CARBINOL
Compound Number 6F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H12F3NOS
InChI InChI=1S/C17H12F3NOS/c18-17(19,20)14-8-6-13(7-9-14)16(22,15-10-11-21-23-15)12-4-2-1-3-5-12/h1-11,22H
InChIKey NFGHUDKMDCSMIL-UHFFFAOYSA-N
Literature Reference Author A.R.KATRITZKY,K.S.LAURENZO,D.I.RELYEA
Literature Reference Citation CAN.J.CHEM.,66,1617(1988)
Literature Reference DOI 10.1139/v88-262
Molecular Weight 335.344 g/mol
Solvent CDCl3
Source File Reference UWED4077