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[3-BETA,4-BETA-ETA(2)-[OS(NH3)5]-3-ALPHA-(2-CARBOMETHOXYETHYL)-1-METHYL-3H-PYRROLIUM]-(OTF)3
SpectraBase Compound ID 7foLuGOv7ph
InChI InChI=1S/C9H14NO2.3CHF3O3S.5H3N.Os/c1-10-6-5-8(7-10)3-4-9(11)12-2;3*2-1(3,4)8(5,6)7;;;;;;/h5-8H,3-4H2,1-2H3;3*(H,5,6,7);5*1H3;/q+1;;;;;;;;;+2/p-3/t8-;;;;;;;;;/m0........./s1
InChIKey XXNXNUIHRJGSJI-UQDQVLRLSA-K
Mol Weight 890.79 g/mol
Molecular Formula C12H29F9N6O11OsS3
Exact Mass 892.052753 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8Of7Ukj1Tm8
Name [3-BETA,4-BETA-ETA(2)-[OS(NH3)5]-3-ALPHA-(2-CARBOMETHOXYETHYL)-1-METHYL-3H-PYRROLIUM]-(OTF)3
Compound Number 39
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H29F9N6O11OsS3
InChI InChI=1S/C9H14NO2.3CHF3O3S.5H3N.Os/c1-10-6-5-8(7-10)3-4-9(11)12-2;3*2-1(3,4)8(5,6)7;;;;;;/h5-8H,3-4H2,1-2H3;3*(H,5,6,7);5*1H3;/q+1;;;;;;;;;+2/p-3/t8-;;;;;;;;;/m0........./s1
InChIKey XXNXNUIHRJGSJI-UQDQVLRLSA-K
Literature Reference Author L.M.HODGES,J.GONZALEZ,J.I.KOONTZ,W.H.MYERS,W.D.HARMAN
Literature Reference Citation J.ORG.CHEM.,60,2125(1995)
Literature Reference DOI 10.1021/jo00112a037
Molecular Weight 890.761 g/mol
Solvent ACETONE-D6
Source File Reference UWSP10253