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CIS-3-CARBOETHOXY-1-TRIFLUOROMETHYL-1,2,3,4-TETRAHYDRO-9H-PYRIDO[3,4-B]INDOLE
SpectraBase Compound ID EfEv5BOhZTg
InChI InChI=1S/C15H15F3N2O2/c1-2-22-14(21)11-7-9-8-5-3-4-6-10(8)19-12(9)13(20-11)15(16,17)18/h3-6,11,13,19-20H,2,7H2,1H3/t11-,13+/m1/s1
InChIKey RRWMNGUUQGTOBE-YPMHNXCESA-N
Mol Weight 312.29 g/mol
Molecular Formula C15H15F3N2O2
Exact Mass 312.108562 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JlAKHg2zfkC
Name CIS-3-CARBOETHOXY-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 C15H15F3N2O2
InChI InChI=1S/C15H15F3N2O2/c1-2-22-14(21)11-7-9-8-5-3-4-6-10(8)19-12(9)13(20-11)15(16,17)18/h3-6,11,13,19-20H,2,7H2,1H3/t11-,13+/m1/s1
InChIKey RRWMNGUUQGTOBE-YPMHNXCESA-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