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(2S,4R,5S)-1-Ethoxycarbonylmethyl-2,5-bis-(3-nitro-phenyl)-imidazolidine-4-carboxylic acid ethyl ester
SpectraBase Compound ID 9kJWP6aOqTU
InChI InChI=1S/C22H24N4O8/c1-3-33-18(27)13-24-20(14-7-5-9-16(11-14)25(29)30)19(22(28)34-4-2)23-21(24)15-8-6-10-17(12-15)26(31)32/h5-12,19-21,23H,3-4,13H2,1-2H3/t19-,20+,21+/m1/s1
InChIKey WBPDDIMLEYXPOH-HKBOAZHASA-N
Mol Weight 472.45 g/mol
Molecular Formula C22H24N4O8
Exact Mass 472.159414 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JqfktIEbBbX
Name (2S,4R,5S)-1-Ethoxycarbonylmethyl-2,5-bis-(3-nitro-phenyl)-imidazolidine-4-carboxylic acid ethyl ester
Alternate Name(s) (2S,4R,5S)-Ethyl 1-ethoxycarbonylmethyl-2,5-bis(3-nitrophenyl)imidazolidine-4-carboxylate isomer Ethyl (2S,4R,5S)-1-(2-ethoxy-2-oxoethyl)-2,5-bis(3-nitrophenyl)-4-imidazolidinecarboxylate Ethyl 1-ethoxycarbonyl-2,5-bis(3-nitrophenyl)imidazolidine-4-carboxylate Ethyl 1-ethoxycarbonyl-2,5-bis(3-nitrophenyl)imidazolidine-4-carboxylate isomer
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Formula C22H24N4O8
InChI InChI=1S/C22H24N4O8/c1-3-33-18(27)13-24-20(14-7-5-9-16(11-14)25(29)30)19(22(28)34-4-2)23-21(24)15-8-6-10-17(12-15)26(31)32/h5-12,19-21,23H,3-4,13H2,1-2H3/t19-,20+,21+/m1/s1
InChIKey WBPDDIMLEYXPOH-HKBOAZHASA-N
Molecular Weight 472.454 g/mol
SMILES N1[C@]([C@@](N([C@]1(c1cc(N(=O)=O)ccc1)[H])CC(=O)OCC)(c1cc(N(=O)=O)ccc1)[H])(C(=O)OCC)[H]
SPLASH splash10-01p9-0957200000-da69566b142e988bf83f
Source of Spectrum KC-0-2845-7
Wiley ID 826424