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Dimethyl cis-1,3-dibenzyl-2-imidazolidine-4,5-dicarboxyate

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Dimethyl cis-1,3-dibenzyl-2-imidazolidine-4,5-dicarboxyate
SpectraBase Compound ID FWpTDghhkUg
InChI InChI=1S/C21H22N2O5/c1-27-19(24)17-18(20(25)28-2)23(14-16-11-7-4-8-12-16)21(26)22(17)13-15-9-5-3-6-10-15/h3-12,17-18H,13-14H2,1-2H3/t17-,18+
InChIKey BBTUUSONTSSVJB-HDICACEKSA-N
Mol Weight 382.42 g/mol
Molecular Formula C21H22N2O5
Exact Mass 382.152872 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7ZFCXzZVtaJ
Name Dimethyl cis-1,3-dibenzyl-2-imidazolidine-4,5-dicarboxyate
Comments Computed using HOSE algorithm
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Exact Mass 382.152871811 u
Formula C21H22N2O5
InChI InChI=1S/C21H22N2O5/c1-27-19(24)17-18(20(25)28-2)23(14-16-11-7-4-8-12-16)21(26)22(17)13-15-9-5-3-6-10-15/h3-12,17-18H,13-14H2,1-2H3/t17-,18+
InChIKey BBTUUSONTSSVJB-HDICACEKSA-N
Molecular Weight 382.416 g/mol
SMILES [C@]1(C(=O)OC)(N(CC2=CC=CC=C2)C(N(CC2=CC=CC=C2)[C@@]1(C(=O)OC)[H])=O)[H]