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Dobutamine, o,o',o''-tris(tert-butyldimethylsilyl) ether

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Dobutamine, o,o',o''-tris(tert-butyldimethylsilyl) ether
SpectraBase Compound ID 5xcns1i9B9x
InChI InChI=1S/C36H65NO3Si3/c1-28(17-18-29-19-22-31(23-20-29)38-41(11,12)34(2,3)4)37-26-25-30-21-24-32(39-42(13,14)35(5,6)7)33(27-30)40-43(15,16)36(8,9)10/h19-24,27-28,37H,17-18,25-26H2,1-16H3
InChIKey GXPYSHZFBTYGOT-UHFFFAOYSA-N
Mol Weight 644.2 g/mol
Molecular Formula C36H65NO3Si3
Exact Mass 643.427225 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4IWPgS4BDhQ
Name Dobutamine, o,o',o''-tris(tert-butyldimethylsilyl) ether
Comments Computed using HOSE algorithm
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Exact Mass 643.427224559 u
Formula C36H65NO3Si3
InChI InChI=1S/C36H65NO3Si3/c1-28(17-18-29-19-22-31(23-20-29)38-41(11,12)34(2,3)4)37-26-25-30-21-24-32(39-42(13,14)35(5,6)7)33(27-30)40-43(15,16)36(8,9)10/h19-24,27-28,37H,17-18,25-26H2,1-16H3
InChIKey GXPYSHZFBTYGOT-UHFFFAOYSA-N
Molecular Weight 644.175 g/mol
SMILES C(CNC(CCC1=CC=C(C=C1)O[Si](C)(C)C(C)(C)C)C)C1=CC(O[Si](C)(C)C(C)(C)C)=C(C=C1)O[Si](C)(C)C(C)(C)C