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4,8-bis(Ethoxycarbonyl)-1,3 : 5,7-bis[(3'-methylphenylamino)dimethyl]-Glycoluryl
SpectraBase Compound ID 5jCRpJhaf8l
InChI InChI=1S/C28H32N6O6/c1-5-39-23(35)27-28(24(36)40-6-2)33-17-30(22-12-8-10-20(4)14-22)18-34(28)26(38)32(27)16-29(15-31(27)25(33)37)21-11-7-9-19(3)13-21/h7-14H,5-6,15-18H2,1-4H3
InChIKey JAKPYVIPELTIMI-UHFFFAOYSA-N
Mol Weight 548.6 g/mol
Molecular Formula C28H32N6O6
Exact Mass 548.238333 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HJZ7OcKp23t
Name 4,8-bis(Ethoxycarbonyl)-1,3 : 5,7-bis[(3'-methylphenylamino)dimethyl]-Glycoluryl
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Formula C28H32N6O6
InChI InChI=1S/C28H32N6O6/c1-5-39-23(35)27-28(24(36)40-6-2)33-17-30(22-12-8-10-20(4)14-22)18-34(28)26(38)32(27)16-29(15-31(27)25(33)37)21-11-7-9-19(3)13-21/h7-14H,5-6,15-18H2,1-4H3
InChIKey JAKPYVIPELTIMI-UHFFFAOYSA-N
Molecular Weight 548.600 g/mol
SMILES C12(C3(N4CN(CN3C(N1CN(CN2C4=O)c1cc(C)ccc1)=O)c1cc(C)ccc1)C(=O)OCC)C(=O)OCC
SPLASH splash10-0fr2-0504890000-d0a5c54da79d1887a773
Source of Spectrum HE-2006-51-4
Wiley ID 1613915