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Metanephrine, 2tbdms derivative

View entire compound with spectra: 1 NMR

Metanephrine, 2tbdms derivative
SpectraBase Compound ID AMMIWpfvD4P
InChI InChI=1S/C22H43NO3Si2/c1-21(2,3)27(9,10)25-18-14-13-17(15-19(18)24-8)20(16-23-7)26-28(11,12)22(4,5)6/h13-15,20,23H,16H2,1-12H3
InChIKey ZLTAOLBLYQYGNN-UHFFFAOYSA-N
Mol Weight 425.8 g/mol
Molecular Formula C22H43NO3Si2
Exact Mass 425.278147 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HkSSXKwHjcC
Name Metanephrine, 2tbdms derivative
Comments Computed using HOSE algorithm
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Exact Mass 425.278147316 u
Formula C22H43NO3Si2
InChI InChI=1S/C22H43NO3Si2/c1-21(2,3)27(9,10)25-18-14-13-17(15-19(18)24-8)20(16-23-7)26-28(11,12)22(4,5)6/h13-15,20,23H,16H2,1-12H3
InChIKey ZLTAOLBLYQYGNN-UHFFFAOYSA-N
Molecular Weight 425.760 g/mol
SMILES C1=C(C=CC(=C1OC)O[Si](C(C)(C)C)(C)C)C(O[Si](C(C)(C)C)(C)C)CNC