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17,18-DIMETHYL-2,3,22,23,24-PENTAHYDRO-22,23-METHYLENE-21H-BILINE-1,19-DION-10-ENIUM-METHANESULFONATE
SpectraBase Compound ID I97qdgnpnZ7
InChI InChI=1S/C22H22N4O2.CH4O3S/c1-13-14(2)22(28)24-20(13)11-19-7-6-18-10-17-5-4-16(25(17)12-26(18)19)9-15-3-8-21(27)23-15;1-5(2,3)4/h4-7,9,11H,3,8,10,12H2,1-2H3,(H,23,27)(H,24,28);1H3,(H,2,3,4)/p-1/b15-9+,20-11-;
InChIKey SHIJBSVXTZZYAX-BMBRJNHESA-M
Mol Weight 469.54 g/mol
Molecular Formula C23H25N4O5S
Exact Mass 469.154566 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KUrIgYbzNq8
Name 17,18-DIMETHYL-2,3,22,23,24-PENTAHYDRO-22,23-METHYLENE-21H-BILINE-1,19-DION-10-ENIUM-METHANESULFONATE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H25N4O5S
InChI InChI=1S/C22H22N4O2.CH4O3S/c1-13-14(2)22(28)24-20(13)11-19-7-6-18-10-17-5-4-16(25(17)12-26(18)19)9-15-3-8-21(27)23-15;1-5(2,3)4/h4-7,9,11H,3,8,10,12H2,1-2H3,(H,23,27)(H,24,28);1H3,(H,2,3,4)/p-1/b15-9+,20-11-;
InChIKey SHIJBSVXTZZYAX-BMBRJNHESA-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 469.535 g/mol
Solvent CF3COOD
Source File Reference UWED4564