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2-[(4R,5R)-5-(1,3-diethoxy-2-methyl-1,3-dioxopropan-2-yl)-1-methyl-2-(2-methylpropyl)-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-(2-methylpropyl)-4,5-dihydroimidazol-4-yl]-2-methylpropanedioic acid diethyl ester
SpectraBase Compound ID FbGZaF2JxZK
InChI InChI=1S/C24H40N2O8/c1-10-31-19(27)23(7,20(28)32-11-2)17-18(26(9)16(25-17)14-15(5)6)24(8,21(29)33-12-3)22(30)34-13-4/h15,17-18H,10-14H2,1-9H3/t17-,18-/m0/s1
InChIKey DSVGPZZYYTUUDM-ROUUACIJSA-N
Mol Weight 484.6 g/mol
Molecular Formula C24H40N2O8
Exact Mass 484.278466 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7An86A6rg9f
Name 2-[(4R,5R)-5-(1,3-Diethoxy-2-methyl-1,3-dioxopropan-2-yl)-1-methyl-2-(2-methylpropyl)-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 484.278466248 u
Formula C24H40N2O8
InChI InChI=1S/C24H40N2O8/c1-10-31-19(27)23(7,20(28)32-11-2)17-18(26(9)16(25-17)14-15(5)6)24(8,21(29)33-12-3)22(30)34-13-4/h15,17-18H,10-14H2,1-9H3/t17-,18-/m0/s1
InChIKey DSVGPZZYYTUUDM-ROUUACIJSA-N
Molecular Weight 484.590 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
Spectrum/Structure Validation Score (Vapor Phase IR) 0.977264