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Carbamic acid, (4,5-dihydro-1-methyl-4,5-dioxo-1H-imidazol-2-yl)-, 1,1-dimethylethyl ester
SpectraBase Compound ID 3ZjwuAtlk7x
InChI InChI=1S/C9H13N3O4/c1-9(2,3)16-8(15)11-7-10-5(13)6(14)12(7)4/h1-4H3,(H,10,11,13,15)
InChIKey LJZKDKGQLKGZCG-UHFFFAOYSA-N
Mol Weight 227.22 g/mol
Molecular Formula C9H13N3O4
Exact Mass 227.090606 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GpEOW7d1u1S
Name Carbamic acid, (4,5-dihydro-1-methyl-4,5-dioxo-1H-imidazol-2-yl)-, 1,1-dimethylethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 227.090605907 u
Formula C9H13N3O4
InChI InChI=1S/C9H13N3O4/c1-9(2,3)16-8(15)11-7-10-5(13)6(14)12(7)4/h1-4H3,(H,10,11,13,15)
InChIKey LJZKDKGQLKGZCG-UHFFFAOYSA-N
Molecular Weight 227.220 g/mol
SMILES C1(=NC(=O)C(N1C)=O)NC(OC(C)(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.970336