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8,9-DIMETHOXY-4-METHYL-3-PHENYL-2,3,5,6-TETRAHYDROPYRROLO-[2,1-A]-ISOQUINOLIUM-IODIDE
SpectraBase Compound ID 1zejCtMTPxs
InChI InChI=1S/C21H24NO2.HI/c1-22-12-11-16-13-20(23-2)21(24-3)14-17(16)19(22)10-9-18(22)15-7-5-4-6-8-15;/h4-8,10,13-14,18H,9,11-12H2,1-3H3;1H/q+1;/p-1
InChIKey MISVUMGXPUYEMJ-UHFFFAOYSA-M
Mol Weight 449.33 g/mol
Molecular Formula C21H24INO2
Exact Mass 449.085174 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 48sUhFsfw1s
Name 8,9-DIMETHOXY-4-METHYL-3-PHENYL-2,3,5,6-TETRAHYDROPYRROLO-[2,1-A]-ISOQUINOLIUM-IODIDE
Compound Number 5B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H24INO2
InChI InChI=1S/C21H24NO2.HI/c1-22-12-11-16-13-20(23-2)21(24-3)14-17(16)19(22)10-9-18(22)15-7-5-4-6-8-15;/h4-8,10,13-14,18H,9,11-12H2,1-3H3;1H/q+1;/p-1
InChIKey MISVUMGXPUYEMJ-UHFFFAOYSA-M
Literature Reference Author T.S.BAILEY,J.B.BREMNER,L.PELOSI,B.W.SKELTON,A.H.WHITE
Literature Reference Citation AUSTR.J.CHEM.,48,1437(1995)
Literature Reference DOI 10.1071/CH9951437
Molecular Weight 449.332 g/mol
Solvent DMSO-D6
Source File Reference UWCP360