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CORALYNE-SULFOACETATE;2,3,10,11-TETRAMETHOXY-8-METHYL-DIBENZO-[A,G]-QUINOLIZINIUM-SULFOACETATE
SpectraBase Compound ID FXQF1iAMbnH
InChI InChI=1S/C22H22NO4.C2H4O5S/c1-13-16-11-21(26-4)20(25-3)10-15(16)8-18-17-12-22(27-5)19(24-2)9-14(17)6-7-23(13)18;3-2(4)1-8(5,6)7/h6-12H,1-5H3;1H2,(H,3,4)(H,5,6,7)/q+1;/p-1
InChIKey KRPNDEFBHRAWPW-UHFFFAOYSA-M
Mol Weight 503.52 g/mol
Molecular Formula C24H25NO9S
Exact Mass 503.125003 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HKrAtqy1Kdm
Name CORALYNE-SULFOACETATE;2,3,10,11-TETRAMETHOXY-8-METHYL-DIBENZO-[A,G]-QUINOLIZINIUM-SULFOACETATE
Compound Number IIIA
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H25NO9S
InChI InChI=1S/C22H22NO4.C2H4O5S/c1-13-16-11-21(26-4)20(25-3)10-15(16)8-18-17-12-22(27-5)19(24-2)9-14(17)6-7-23(13)18;3-2(4)1-8(5,6)7/h6-12H,1-5H3;1H2,(H,3,4)(H,5,6,7)/q+1;/p-1
InChIKey KRPNDEFBHRAWPW-UHFFFAOYSA-M
Literature Reference Author E.REIMANN,R.HERTEL,J.KRAUSS
Literature Reference Citation MH.CHEM.,139,673(2008)
Literature Reference DOI 10.1007/s00706-007-0826-8
Molecular Weight 503.524 g/mol
Sample ID 39760
Solvent F3CCO2D