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3'-HYDROXY-N,N-DIMETHYLCOCLAURINIUM_TRIFLUOROACETATE

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3'-HYDROXY-N,N-DIMETHYLCOCLAURINIUM_TRIFLUOROACETATE
SpectraBase Compound ID 19kyiZ86Vbk
InChI InChI=1S/C19H23NO4.C2HF3O2/c1-20(2)7-6-13-10-19(24-3)18(23)11-14(13)15(20)8-12-4-5-16(21)17(22)9-12;3-2(4,5)1(6)7/h4-5,9-11,15H,6-8H2,1-3H3,(H2-,21,22,23);(H,6,7)
InChIKey LJXVHGCCIANZFC-UHFFFAOYSA-N
Mol Weight 443.42 g/mol
Molecular Formula C21H24F3NO6
Exact Mass 443.155572 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8rQmVDf6t5W
Name 3'-HYDROXY-N,N-DIMETHYLCOCLAURINIUM_TRIFLUOROACETATE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H24F3NO6
InChI InChI=1S/C19H23NO4.C2HF3O2/c1-20(2)7-6-13-10-19(24-3)18(23)11-14(13)15(20)8-12-4-5-16(21)17(22)9-12;3-2(4,5)1(6)7/h4-5,9-11,15H,6-8H2,1-3H3,(H2-,21,22,23);(H,6,7)
InChIKey LJXVHGCCIANZFC-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 443.420 g/mol
Sample ID 39551
Solvent DMSO-D6