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Fenclonine, 2tbdms derivative

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Fenclonine, 2tbdms derivative
SpectraBase Compound ID 2ePlojyU5kJ
InChI InChI=1S/C21H38ClNO2Si2/c1-20(2,3)26(7,8)23-18(15-16-11-13-17(22)14-12-16)19(24)25-27(9,10)21(4,5)6/h11-14,18,23H,15H2,1-10H3
InChIKey PCTQXPZRMHRKOI-UHFFFAOYSA-N
Mol Weight 428.2 g/mol
Molecular Formula C21H38ClNO2Si2
Exact Mass 427.21296 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DWq0TVscGRd
Name Fenclonine, 2tbdms derivative
Comments Computed using HOSE algorithm
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Exact Mass 427.212960236 u
Formula C21H38ClNO2Si2
InChI InChI=1S/C21H38ClNO2Si2/c1-20(2,3)26(7,8)23-18(15-16-11-13-17(22)14-12-16)19(24)25-27(9,10)21(4,5)6/h11-14,18,23H,15H2,1-10H3
InChIKey PCTQXPZRMHRKOI-UHFFFAOYSA-N
Molecular Weight 428.163 g/mol
SMILES C1=CC(=CC=C1CC(N[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=O)Cl