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5,6-(Methylenedioxy)-2-trifluoromethylindole-3-acetonitrile
SpectraBase Compound ID F4F3zIwaJSC
InChI InChI=1S/C12H7F3N2O2/c13-12(14,15)11-6(1-2-16)7-3-9-10(19-5-18-9)4-8(7)17-11/h3-4,17H,1,5H2
InChIKey QSCOAFIQQTTYJD-UHFFFAOYSA-N
Mol Weight 268.2 g/mol
Molecular Formula C12H7F3N2O2
Exact Mass 268.045962 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 896pKR6r9zI
Name 5,6-(METHYLENEDIOXY)-2-TRIFLUOROMETHYL-INDOLE-3-ACETONITRILE
Compound Number 7A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H7F3N2O2
InChI InChI=1S/C12H7F3N2O2/c13-12(14,15)11-6(1-2-16)7-3-9-10(19-5-18-9)4-8(7)17-11/h3-4,17H,1,5H2
InChIKey QSCOAFIQQTTYJD-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 UWVN28852