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Bunitrolol TMS
SpectraBase Compound ID JgyjgD6shRy
InChI InChI=1S/C17H28N2O2Si/c1-17(2,3)19-12-15(21-22(4,5)6)13-20-16-10-8-7-9-14(16)11-18/h7-10,15,19H,12-13H2,1-6H3
InChIKey YWNGKDKGRBLMAH-UHFFFAOYSA-N
Mol Weight 320.51 g/mol
Molecular Formula C17H28N2O2Si
Exact Mass 320.192005 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KKHkWCoF7TH
Name 2-[3-(Tert-butylamino)-2-hydroxypropoxy]benzonitrile, tms
Comments Computed using HOSE algorithm
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Exact Mass 320.192004683 u
Formula C17H28N2O2Si
InChI InChI=1S/C17H28N2O2Si/c1-17(2,3)19-12-15(21-22(4,5)6)13-20-16-10-8-7-9-14(16)11-18/h7-10,15,19H,12-13H2,1-6H3
InChIKey YWNGKDKGRBLMAH-UHFFFAOYSA-N
Molecular Weight 320.508 g/mol
SMILES C(NCC(O[Si](C)(C)C)COC1=C(C=CC=C1)C#N)(C)(C)C