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CIS-3-CARBOXY-1-TRIFLUOROMETHYL-1,2,3,4-TETRAHYDRO-9H-PYRIDO[3,4-B]INDOLE
SpectraBase Compound ID fSq09a982K
InChI InChI=1S/C13H11F3N2O2/c14-13(15,16)11-10-7(5-9(18-11)12(19)20)6-3-1-2-4-8(6)17-10/h1-4,9,11,17-18H,5H2,(H,19,20)/t9-,11+/m1/s1
InChIKey XABPUGCCJJHTEA-KOLCDFICSA-N
Mol Weight 284.24 g/mol
Molecular Formula C13H11F3N2O2
Exact Mass 284.077262 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 51jbU6gDzYJ
Name CIS-3-CARBOXY-1-TRIFLUOROMETHYL-1,2,3,4-TETRAHYDRO-9H-PYRIDO[3,4-B]INDOLE
Comments `+` AXIS-LOW FIELD (DIRECT INDICATION IN THE PUBLICATION). STEREO;R-20A (PERKIN-ELMER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H11F3N2O2
InChI InChI=1S/C13H11F3N2O2/c14-13(15,16)11-10-7(5-9(18-11)12(19)20)6-3-1-2-4-8(6)17-10/h1-4,9,11,17-18H,5H2,(H,19,20)/t9-,11+/m1/s1
InChIKey XABPUGCCJJHTEA-KOLCDFICSA-N
Instrument Name SEE COMMENT
Literature Reference YASUKO MAKI, HIROSHI KIMOTO, SHOZO FUJII, MASAKAZU NISHIDA, LOUIS A. COHEN(1989) J.Fluor.Chem.: v.43, N2, 189-206.
NMR Standard CF3COOH
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d