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Phenaceturic acid, 2tbdms derivative

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Phenaceturic acid, 2tbdms derivative
SpectraBase Compound ID HpIMM6us5Gr
InChI InChI=1S/C22H39NO3Si2/c1-21(2,3)27(7,8)23(19(24)16-18-14-12-11-13-15-18)17-20(25)26-28(9,10)22(4,5)6/h11-15H,16-17H2,1-10H3
InChIKey HPJUEPHIRTYPPT-UHFFFAOYSA-N
Mol Weight 421.7 g/mol
Molecular Formula C22H39NO3Si2
Exact Mass 421.246847 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CIf8aojcGrY
Name Phenaceturic acid, 2tbdms derivative
Comments Computed using HOSE algorithm
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Exact Mass 421.246847187 u
Formula C22H39NO3Si2
InChI InChI=1S/C22H39NO3Si2/c1-21(2,3)27(7,8)23(19(24)16-18-14-12-11-13-15-18)17-20(25)26-28(9,10)22(4,5)6/h11-15H,16-17H2,1-10H3
InChIKey HPJUEPHIRTYPPT-UHFFFAOYSA-N
Molecular Weight 421.728 g/mol
SMILES C1=CC=CC(=C1)CC(N([Si](C(C)(C)C)(C)C)CC(O[Si](C(C)(C)C)(C)C)=O)=O