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2-[(4R,5R)-5-(1,3-diethoxy-2-methyl-1,3-dioxopropan-2-yl)-1-methyl-2-propyl-4,5-dihydroimidazol-4-yl]-2-methylpropanedioic acid diethyl ester

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2-[(4R,5R)-5-(1,3-diethoxy-2-methyl-1,3-dioxopropan-2-yl)-1-methyl-2-propyl-4,5-dihydroimidazol-4-yl]-2-methylpropanedioic acid diethyl ester
SpectraBase Compound ID JMmuufRSuDs
InChI InChI=1S/C23H38N2O8/c1-9-14-15-24-16(22(6,18(26)30-10-2)19(27)31-11-3)17(25(15)8)23(7,20(28)32-12-4)21(29)33-13-5/h16-17H,9-14H2,1-8H3/t16-,17-/m0/s1
InChIKey UBYQPHCPUSWYDI-IRXDYDNUSA-N
Mol Weight 470.6 g/mol
Molecular Formula C23H38N2O8
Exact Mass 470.262816 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 89Kjupr9Ot0
Name 2-[(4R,5R)-5-(1,3-Diethoxy-2-methyl-1,3-dioxopropan-2-yl)-1-methyl-2-propyl-4,5-dihydroimidazol-4-yl]-2-methylpropanedioic acid diethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 470.262816184 u
Formula C23H38N2O8
InChI InChI=1S/C23H38N2O8/c1-9-14-15-24-16(22(6,18(26)30-10-2)19(27)31-11-3)17(25(15)8)23(7,20(28)32-12-4)21(29)33-13-5/h16-17H,9-14H2,1-8H3/t16-,17-/m0/s1
InChIKey UBYQPHCPUSWYDI-IRXDYDNUSA-N
Molecular Weight 470.563 g/mol
SMILES [C@]1(N=C(N([C@@]1(C(C(=O)OCC)(C(=O)OCC)C)[H])C)CCC)(C(C(=O)OCC)(C(=O)OCC)C)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.940115