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5,5-Dimethyl-3-(4-nitrobenzyl)-2,4-imidazolidinedione

View entire compound with spectra: 1 NMR, and 1 FTIR

5,5-Dimethyl-3-(4-nitrobenzyl)-2,4-imidazolidinedione
SpectraBase Compound ID 1AYK2OuUvNi
InChI InChI=1S/C12H13N3O4/c1-12(2)10(16)14(11(17)13-12)7-8-3-5-9(6-4-8)15(18)19/h3-6H,7H2,1-2H3,(H,13,17)
InChIKey IGLOIBUWPRCLQJ-UHFFFAOYSA-N
Mol Weight 263.25 g/mol
Molecular Formula C12H13N3O4
Exact Mass 263.090606 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7vz9BIrfcAR
Name 5,5-Dimethyl-3-(4-nitrobenzyl)-2,4-imidazolidinedione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 263.090605907 u
Formula C12H13N3O4
InChI InChI=1S/C12H13N3O4/c1-12(2)10(16)14(11(17)13-12)7-8-3-5-9(6-4-8)15(18)19/h3-6H,7H2,1-2H3,(H,13,17)
InChIKey IGLOIBUWPRCLQJ-UHFFFAOYSA-N
SMILES C1(N(=O)=O)=CC=C(C=C1)CN1C(=O)NC(C1=O)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.973656