John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=3cE7dyHNrYB SpectraBase Spectrum ID=2aIYSmjf7aj

(accessed ).
[3-BETA,4-BETA-ETA(2)-[OS(NH3)5]-2-ALPHA-(2-CARBOMETHOXYETHYL)-2-BETA,5-BETA-DIMETHYL-3-PYRROLINE]-(BPH4)2
SpectraBase Compound ID 3cE7dyHNrYB
InChI InChI=1S/2C24H20B.C10H17NO2.5H3N.Os/c2*1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-8-4-6-10(2,11-8)7-5-9(12)13-3;;;;;;/h2*1-20H;4,6,8,11H,5,7H2,1-3H3;5*1H3;/q2*-1;;;;;;;+2/t;;8-,10+;;;;;;/m..1....../s1
InChIKey BMMRSLBFSWOMDB-KCQVJWARSA-N
Mol Weight 1097.1 g/mol
Molecular Formula C58H72B2N6O2Os
Exact Mass 1098.551774 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2aIYSmjf7aj
Name [3-BETA,4-BETA-ETA(2)-[OS(NH3)5]-2-ALPHA-(2-CARBOMETHOXYETHYL)-2-BETA,5-BETA-DIMETHYL-3-PYRROLINE]-(BPH4)2
Compound Number 56
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Formula C58H72B2N6O2Os
InChI InChI=1S/2C24H20B.C10H17NO2.5H3N.Os/c2*1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-8-4-6-10(2,11-8)7-5-9(12)13-3;;;;;;/h2*1-20H;4,6,8,11H,5,7H2,1-3H3;5*1H3;/q2*-1;;;;;;;+2/t;;8-,10+;;;;;;/m..1....../s1
InChIKey BMMRSLBFSWOMDB-KCQVJWARSA-N
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 1097.069 g/mol
Solvent ACETONE-D6
Source File Reference UWSP10267
SpectraBase Batch ID CoGvvIqfRyU