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(-)-Diethyl 2-[4-((2S)-2-methoxycarbonyl-2-tert-butoxycarbonylaminoethyl)-imidazol-1-yl]succinate
SpectraBase Compound ID 4NnCKv1Axo1
InChI InChI=1S/C20H31N3O8/c1-7-29-16(24)10-15(18(26)30-8-2)23-11-13(21-12-23)9-14(17(25)28-6)22-19(27)31-20(3,4)5/h11-12,14-15H,7-10H2,1-6H3,(H,22,27)/t14-,15?/m0/s1
InChIKey ASJDOHWLWFPKTQ-MLCCFXAWSA-N
Mol Weight 441.48 g/mol
Molecular Formula C20H31N3O8
Exact Mass 441.211115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7I3AcsddLjF
Name (-)-Diethyl 2-[4-((2S)-2-methoxycarbonyl-2-tert-butoxycarbonylaminoethyl)-imidazol-1-yl]succinate
Appearance Brown oil
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Formula C20H31N3O8
InChI InChI=1S/C20H31N3O8/c1-7-29-16(24)10-15(18(26)30-8-2)23-11-13(21-12-23)9-14(17(25)28-6)22-19(27)31-20(3,4)5/h11-12,14-15H,7-10H2,1-6H3,(H,22,27)/t14-,15?/m0/s1
InChIKey ASJDOHWLWFPKTQ-MLCCFXAWSA-N
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0005.404
Molecular Weight 441.481 g/mol
Optical Rotation [a]D20 = 17 (c = 1.5, CH2Cl2)
SMILES N([C@@](Cc1nc[n](c1)C(CC(OCC)=O)C(OCC)=O)(C(OC)=O)[H])C(=O)OC(C)(C)C
SPLASH splash10-0a59-9353000000-a5bb95cbedfdd9cbe89e
Sample Comments dr = 50:50
Source of Spectrum ARK-2004-30-3
Wiley ID 1875961