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cis-1,3-Dibenzyl-2-oxo-4,5-imidazolidinedicarboxylic acid, 2tms
SpectraBase Compound ID Fhk0ROdUPDy
InChI InChI=1S/C25H34N2O5Si2/c1-33(2,3)31-23(28)21-22(24(29)32-34(4,5)6)27(18-20-15-11-8-12-16-20)25(30)26(21)17-19-13-9-7-10-14-19/h7-16,21-22H,17-18H2,1-6H3/t21-,22+
InChIKey IFMJCYQEIPBOBK-SZPZYZBQSA-N
Mol Weight 498.7 g/mol
Molecular Formula C25H34N2O5Si2
Exact Mass 498.200625 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LI2WgCoeRmd
Name cis-1,3-Dibenzyl-2-oxo-4,5-imidazolidinedicarboxylic acid, 2tms
Comments Computed using HOSE algorithm
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Exact Mass 498.200625268 u
Formula C25H34N2O5Si2
InChI InChI=1S/C25H34N2O5Si2/c1-33(2,3)31-23(28)21-22(24(29)32-34(4,5)6)27(18-20-15-11-8-12-16-20)25(30)26(21)17-19-13-9-7-10-14-19/h7-16,21-22H,17-18H2,1-6H3/t21-,22+
InChIKey IFMJCYQEIPBOBK-SZPZYZBQSA-N
Molecular Weight 498.726 g/mol
SMILES C(O[Si](C)(C)C)(=O)[C@]1([C@@](C(O[Si](C)(C)C)=O)(N(CC2=CC=CC=C2)C(N1CC1=CC=CC=C1)=O)[H])[H]