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(4S,5S)-4,5-bis[1',1'-(Diethoxycarbonyl)propyl]-4,5-dihydro-1-methyl-2-(2',2'-dimethylpropyl)-1H-imidazole

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(4S,5S)-4,5-bis[1',1'-(Diethoxycarbonyl)propyl]-4,5-dihydro-1-methyl-2-(2',2'-dimethylpropyl)-1H-imidazole
SpectraBase Compound ID 1I7a9XrxRpC
InChI InChI=1S/C27H46N2O8/c1-11-26(21(30)34-13-3,22(31)35-14-4)19-20(29(10)18(28-19)17-25(7,8)9)27(12-2,23(32)36-15-5)24(33)37-16-6/h19-20H,11-17H2,1-10H3/t19-,20-/m1/s1
InChIKey LCLPJEZDNVEBBT-WOJBJXKFSA-N
Mol Weight 526.7 g/mol
Molecular Formula C27H46N2O8
Exact Mass 526.325416 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ETFTDVNbgEg
Name (4S,5S)-4,5-bis[1',1'-(Diethoxycarbonyl)propyl]-4,5-dihydro-1-methyl-2-(2',2'-dimethylpropyl)-1H-imidazole
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 526.325416441 u
Formula C27H46N2O8
InChI InChI=1S/C27H46N2O8/c1-11-26(21(30)34-13-3,22(31)35-14-4)19-20(29(10)18(28-19)17-25(7,8)9)27(12-2,23(32)36-15-5)24(33)37-16-6/h19-20H,11-17H2,1-10H3/t19-,20-/m1/s1
InChIKey LCLPJEZDNVEBBT-WOJBJXKFSA-N
Molecular Weight 526.671 g/mol
SMILES C1(=N[C@]([C@@](N1C)(C(C(=O)OCC)(C(=O)OCC)CC)[H])(C(C(=O)OCC)(C(=O)OCC)CC)[H])CC(C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.950522