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

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

2-[(4R,5R)-5-(1,3-diethoxy-2-methyl-1,3-dioxopropan-2-yl)-2-(2,2-dimethylpropyl)-1-methyl-4,5-dihydroimidazol-4-yl]-2-methylpropanedioic acid diethyl ester
SpectraBase Compound ID 7nvQhjKsJYM
InChI InChI=1S/C25H42N2O8/c1-11-32-19(28)24(8,20(29)33-12-2)17-18(27(10)16(26-17)15-23(5,6)7)25(9,21(30)34-13-3)22(31)35-14-4/h17-18H,11-15H2,1-10H3/t17-,18-/m0/s1
InChIKey HUAXXGXHMALBQP-ROUUACIJSA-N
Mol Weight 498.6 g/mol
Molecular Formula C25H42N2O8
Exact Mass 498.294116 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5vN5cW5vgAV
Name 2-[(4R,5R)-5-(1,3-Diethoxy-2-methyl-1,3-dioxopropan-2-yl)-2-(2,2-dimethylpropyl)-1-methyl-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 498.294116312 u
Formula C25H42N2O8
InChI InChI=1S/C25H42N2O8/c1-11-32-19(28)24(8,20(29)33-12-2)17-18(27(10)16(26-17)15-23(5,6)7)25(9,21(30)34-13-3)22(31)35-14-4/h17-18H,11-15H2,1-10H3/t17-,18-/m0/s1
InChIKey HUAXXGXHMALBQP-ROUUACIJSA-N
Molecular Weight 498.617 g/mol
SMILES C1(=N[C@@]([C@](N1C)(C(C(=O)OCC)(C(=O)OCC)C)[H])(C(C(=O)OCC)(C(=O)OCC)C)[H])CC(C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.948016