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[3-BETA,4-BETA-ETA(2)-[OS(NH3)5]-3-ALPHA-(2-CARBOMETHOXYETHYL)-2,5-DIMETHYL-3H-PYRROLIUM]-(OTF)3
SpectraBase Compound ID 7lFSBq0YG0A
InChI InChI=1S/C10H15NO2.3CHF3O3S.5H3N.Os/c1-7-6-9(8(2)11-7)4-5-10(12)13-3;3*2-1(3,4)8(5,6)7;;;;;;/h6,9H,4-5H2,1-3H3;3*(H,5,6,7);5*1H3;/q;;;;;;;;;+2/p-2/t9-;;;;;;;;;/m1........./s1
InChIKey BIGVVDCCYJMVNT-ZQMUKWSCSA-L
Mol Weight 904.82 g/mol
Molecular Formula C13H31F9N6O11OsS3
Exact Mass 906.068403 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ywGcNiIsbM
Name [3-BETA,4-BETA-ETA(2)-[OS(NH3)5]-3-ALPHA-(2-CARBOMETHOXYETHYL)-2,5-DIMETHYL-3H-PYRROLIUM]-(OTF)3
Compound Number 38
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H31F9N6O11OsS3
InChI InChI=1S/C10H15NO2.3CHF3O3S.5H3N.Os/c1-7-6-9(8(2)11-7)4-5-10(12)13-3;3*2-1(3,4)8(5,6)7;;;;;;/h6,9H,4-5H2,1-3H3;3*(H,5,6,7);5*1H3;/q;;;;;;;;;+2/p-2/t9-;;;;;;;;;/m1........./s1
InChIKey BIGVVDCCYJMVNT-ZQMUKWSCSA-L
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 904.788 g/mol
Solvent ACETONE-D6
Source File Reference UWSP10252