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1,3-bis[2'-Hydroxy-5'-(methoxycarbonyl)benzylimidazolidine

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1,3-bis[2'-Hydroxy-5'-(methoxycarbonyl)benzylimidazolidine
SpectraBase Compound ID rak5Uoc4Sq
InChI InChI=1S/C21H24N2O6/c1-28-20(26)14-3-5-18(24)16(9-14)11-22-7-8-23(13-22)12-17-10-15(21(27)29-2)4-6-19(17)25/h3-6,9-10,24-25H,7-8,11-13H2,1-2H3
InChIKey NNWHBOUVKSVLPC-UHFFFAOYSA-N
Mol Weight 400.43 g/mol
Molecular Formula C21H24N2O6
Exact Mass 400.163436 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2ISK4uRvEi
Name 1,3-bis[2'-Hydroxy-5'-(methoxycarbonyl)benzylimidazolidine
Comments Computed using HOSE algorithm
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Exact Mass 400.163436495 u
Formula C21H24N2O6
InChI InChI=1S/C21H24N2O6/c1-28-20(26)14-3-5-18(24)16(9-14)11-22-7-8-23(13-22)12-17-10-15(21(27)29-2)4-6-19(17)25/h3-6,9-10,24-25H,7-8,11-13H2,1-2H3
InChIKey NNWHBOUVKSVLPC-UHFFFAOYSA-N
Molecular Weight 400.431 g/mol
SMILES C=1(C=C(C(=O)OC)C=CC1O)CN1CN(CC2=CC(C(=O)OC)=CC=C2O)CC1