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2,3,17,18,22,23-HEXAMETHYL-22,23,24-TRIHYDRO-21H-BILINE-1,19-DION-10-ENIUM-METHANESULFONATE
SpectraBase Compound ID 7YB1UFH8QA8
InChI InChI=1S/C25H28N4O2.CH4O3S/c1-14-16(3)24(30)26-22(14)12-20-9-7-18(28(20)5)11-19-8-10-21(29(19)6)13-23-15(2)17(4)25(31)27-23;1-5(2,3)4/h7-10,12-13H,11H2,1-6H3,(H,26,30)(H,27,31);1H3,(H,2,3,4)/p-1/b22-12-,23-13-;
InChIKey NRJKAUIYEARPKP-HSRZGCJWSA-M
Mol Weight 511.62 g/mol
Molecular Formula C26H31N4O5S
Exact Mass 511.201516 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FRxFmzcLxwZ
Name 2,3,17,18,22,23-HEXAMETHYL-22,23,24-TRIHYDRO-21H-BILINE-1,19-DION-10-ENIUM-METHANESULFONATE
Compound Number 1A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H31N4O5S
InChI InChI=1S/C25H28N4O2.CH4O3S/c1-14-16(3)24(30)26-22(14)12-20-9-7-18(28(20)5)11-19-8-10-21(29(19)6)13-23-15(2)17(4)25(31)27-23;1-5(2,3)4/h7-10,12-13H,11H2,1-6H3,(H,26,30)(H,27,31);1H3,(H,2,3,4)/p-1/b22-12-,23-13-;
InChIKey NRJKAUIYEARPKP-HSRZGCJWSA-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 511.616 g/mol
Solvent CF3COOD
Source File Reference UWED4565