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2-(1-CYANOETHYL)-7-METHOXY-1-METHYL-9H-PYRIDO-[3,4-B]-INDOL-2-IUM-TRIFLATE
SpectraBase Compound ID 4bDLpyxwcLp
InChI InChI=1S/C16H15N3O.CHF3O3S/c1-10(9-17)19-7-6-14-13-5-4-12(20-3)8-15(13)18-16(14)11(19)2;2-1(3,4)8(5,6)7/h4-8,10H,1-3H3;(H,5,6,7)
InChIKey FXCMMFVDBDTOLQ-UHFFFAOYSA-N
Mol Weight 415.39 g/mol
Molecular Formula C17H16F3N3O4S
Exact Mass 415.081362 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EwSFVrLdlbK
Name 2-(1-CYANOETHYL)-7-METHOXY-1-METHYL-9H-PYRIDO-[3,4-B]-INDOL-2-IUM-TRIFLATE
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H16F3N3O4S
InChI InChI=1S/C16H15N3O.CHF3O3S/c1-10(9-17)19-7-6-14-13-5-4-12(20-3)8-15(13)18-16(14)11(19)2;2-1(3,4)8(5,6)7/h4-8,10H,1-3H3;(H,5,6,7)
InChIKey FXCMMFVDBDTOLQ-UHFFFAOYSA-N
Literature Reference Author M.KUCUKDISLI,T.OPATZ
Literature Reference Citation EUR.J.ORG.CHEM.,2014,5836(2014)
Literature Reference DOI 10.1002/ejoc.201402618
Molecular Weight 415.387 g/mol
Solvent DMSO-D6
Source File Reference UWIR18976