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N-METHYLLAUDANOSOLINIUM_TRIFLUOROACETATE
SpectraBase Compound ID 7HiKEMBXIPM
InChI InChI=1S/C18H21NO4.C2HF3O2/c1-19(2)6-5-12-9-17(22)18(23)10-13(12)14(19)7-11-3-4-15(20)16(21)8-11;3-2(4,5)1(6)7/h3-4,8-10,14H,5-7H2,1-2H3,(H3-,20,21,22,23);(H,6,7)
InChIKey OIIROEYPLKNEAS-UHFFFAOYSA-N
Mol Weight 429.39 g/mol
Molecular Formula C20H22F3NO6
Exact Mass 429.139922 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID dalCy1e56
Name N-METHYLLAUDANOSOLINIUM_TRIFLUOROACETATE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H22F3NO6
InChI InChI=1S/C18H21NO4.C2HF3O2/c1-19(2)6-5-12-9-17(22)18(23)10-13(12)14(19)7-11-3-4-15(20)16(21)8-11;3-2(4,5)1(6)7/h3-4,8-10,14H,5-7H2,1-2H3,(H3-,20,21,22,23);(H,6,7)
InChIKey OIIROEYPLKNEAS-UHFFFAOYSA-N
Literature Reference Author F.MARTIN,T.GRKOVIC,M.L.SYKES,T.SHELPER,V.M.AVERY,D.CAMP,R.J. QUINN,R.A.DAVIS
Literature Reference Citation J.NAT.PROD.,74,2425(2011)
Literature Reference DOI 10.1021/np200700f
Molecular Weight 429.393 g/mol
Sample ID 39550
Solvent DMSO-D6