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2,3,5,6,8,8-HEXAMETHYL-8H-BENZO-[1,2-B:4,5-B']-DIPYRROLIUM-METHANESULPHONATE
SpectraBase Compound ID 4mcC4NKiUor
InChI InChI=1S/C16H22N2.CH4O3S/c1-10-7-12-14(17(10)5)9-15-13(16(12,3)4)8-11(2)18(15)6;1-5(2,3)4/h7-8H,9H2,1-6H3;1H3,(H,2,3,4)/p-1
InChIKey LZCPKQUROIGCQJ-UHFFFAOYSA-M
Mol Weight 337.46 g/mol
Molecular Formula C17H25N2O3S
Exact Mass 337.158589 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EetYWF7eSAX
Name 2,3,5,6,8,8-HEXAMETHYL-8H-BENZO-[1,2-B:4,5-B']-DIPYRROLIUM-METHANESULPHONATE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H25N2O3S
InChI InChI=1S/C16H22N2.CH4O3S/c1-10-7-12-14(17(10)5)9-15-13(16(12,3)4)8-11(2)18(15)6;1-5(2,3)4/h7-8H,9H2,1-6H3;1H3,(H,2,3,4)/p-1
InChIKey LZCPKQUROIGCQJ-UHFFFAOYSA-M
Literature Reference Author J.H.KOEK,K.VANDERHOEF,R.FOKKENS,L.ROODENBURG,J.LUGTENBURG
Literature Reference Citation REC.TR.CH.P.-B.,110,41(1991)
Literature Reference DOI 10.1002/recl.19911100203
Molecular Weight 337.457 g/mol
Solvent CD3OD
Source File Reference UWTS1961