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1-METHOXYCARBONYL-1-TRIFLUOROMETHYL-3-CARBOXY-1,2,3,4-TETRAHYDRO-9H-PYRIDO[3,4-B]INDOLE
SpectraBase Compound ID CFPquNp1qRY
InChI InChI=1S/C15H13F3N2O4/c1-24-13(23)14(15(16,17)18)11-8(6-10(20-14)12(21)22)7-4-2-3-5-9(7)19-11/h2-5,10,19-20H,6H2,1H3,(H,21,22)
InChIKey ZRSHTNZCUTVRFF-UHFFFAOYSA-N
Mol Weight 342.27 g/mol
Molecular Formula C15H13F3N2O4
Exact Mass 342.082741 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9ZAMD3AdqIA
Name 1-METHOXYCARBONYL-1-TRIFLUOROMETHYL-3-CARBOXY-1,2,3,4-TETRAHYDRO-9H-PYRIDO[3,4-B]INDOLE
Comments SCALE INVERTED;WP-200SY (BRUKER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C15H13F3N2O4
InChI InChI=1S/C15H13F3N2O4/c1-24-13(23)14(15(16,17)18)11-8(6-10(20-14)12(21)22)7-4-2-3-5-9(7)19-11/h2-5,10,19-20H,6H2,1H3,(H,21,22)
InChIKey ZRSHTNZCUTVRFF-UHFFFAOYSA-N
Instrument Name SEE COMMENT
Literature Reference A.S.GOLUBEV, N.D.CHKANIKOV, M.YU.ANTIPIN, YU.T.STRUCHKOV, A.F.KOLOMIETS,A.V.FOKIN (1992) Izv.Akad.Nauk SSSR(Russ. Lang.): N8, 1831-1836.
NMR Standard -CF3COOH
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C3D6O acetone-d6