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2,3,17,18-TETRAMETHYL-22,23,24-TRIHYDRO-22,23-METHYLENE-21H-BILINE-1,19-DION-10-ENIUM-METHANESULFONATE
SpectraBase Compound ID 3W2AucMDs0z
InChI InChI=1S/C24H24N4O2.CH4O3S/c1-13-15(3)23(29)25-21(13)10-19-7-5-17-9-18-6-8-20(28(18)12-27(17)19)11-22-14(2)16(4)24(30)26-22;1-5(2,3)4/h5-8,10-11H,9,12H2,1-4H3,(H,25,29)(H,26,30);1H3,(H,2,3,4)/p-1/b21-10-,22-11-;
InChIKey WKICUTDBULPBOT-GINLMTPUSA-M
Mol Weight 495.57 g/mol
Molecular Formula C25H27N4O5S
Exact Mass 495.170216 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9GZlHDMISdp
Name 2,3,17,18-TETRAMETHYL-22,23,24-TRIHYDRO-22,23-METHYLENE-21H-BILINE-1,19-DION-10-ENIUM-METHANESULFONATE
Compound Number 2A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H27N4O5S
InChI InChI=1S/C24H24N4O2.CH4O3S/c1-13-15(3)23(29)25-21(13)10-19-7-5-17-9-18-6-8-20(28(18)12-27(17)19)11-22-14(2)16(4)24(30)26-22;1-5(2,3)4/h5-8,10-11H,9,12H2,1-4H3,(H,25,29)(H,26,30);1H3,(H,2,3,4)/p-1/b21-10-,22-11-;
InChIKey WKICUTDBULPBOT-GINLMTPUSA-M
Literature Reference Author K.V.D.HOEF,M.A.HEMPENIUS,J.H.KOEK,J.LUGTENBURG,R.FOKKENS
Literature Reference Citation REC.TR.CH.P.-B.,106,77(1987)
Literature Reference DOI 10.1002/recl.19871060303
Molecular Weight 495.573 g/mol
Solvent CF3COOD
Source File Reference UWED4566