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5,6-(METHYLENEDIOXY)-3-(PHENYLTHIOMETHYL)-2-TRIFLUOROMETHYL-INDOLE
SpectraBase Compound ID GxZmyZqKuCK
InChI InChI=1S/C17H12F3NO2S/c18-17(19,20)16-12(8-24-10-4-2-1-3-5-10)11-6-14-15(23-9-22-14)7-13(11)21-16/h1-7,21H,8-9H2
InChIKey KXKOVINCGFHQCW-UHFFFAOYSA-N
Mol Weight 351.34 g/mol
Molecular Formula C17H12F3NO2S
Exact Mass 351.054084 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7CYYaZISV1w
Name 5,6-(METHYLENEDIOXY)-3-(PHENYLTHIOMETHYL)-2-TRIFLUOROMETHYL-INDOLE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H12F3NO2S
InChI InChI=1S/C17H12F3NO2S/c18-17(19,20)16-12(8-24-10-4-2-1-3-5-10)11-6-14-15(23-9-22-14)7-13(11)21-16/h1-7,21H,8-9H2
InChIKey KXKOVINCGFHQCW-UHFFFAOYSA-N
Literature Reference Author K.MIYASHITA,K.KONDOH,K.TSUCHIYA,H.MIYABE,T.IMANISHI
Literature Reference Citation CHEM.PHARM.BULL.,45,932(1997)
Literature Reference DOI 10.1248/cpb.45.932
Solvent CDCl3
Source File Reference UWVN28855