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2-(4-Isopropyl-2,5-dioxoimidazolidin-1-yl)benzonitrile

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

2-(4-Isopropyl-2,5-dioxoimidazolidin-1-yl)benzonitrile
SpectraBase Compound ID BEzQb33dkGX
InChI InChI=1S/C13H13N3O2/c1-8(2)11-12(17)16(13(18)15-11)10-6-4-3-5-9(10)7-14/h3-6,8,11H,1-2H3,(H,15,18)
InChIKey MHUCVFFDUVMMND-UHFFFAOYSA-N
Mol Weight 243.27 g/mol
Molecular Formula C13H13N3O2
Exact Mass 243.100777 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DLkf43tUl4
Name 2-(4-Isopropyl-2,5-dioxoimidazolidin-1-yl)benzonitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 243.100776669 u
Formula C13H13N3O2
InChI InChI=1S/C13H13N3O2/c1-8(2)11-12(17)16(13(18)15-11)10-6-4-3-5-9(10)7-14/h3-6,8,11H,1-2H3,(H,15,18)
InChIKey MHUCVFFDUVMMND-UHFFFAOYSA-N
Molecular Weight 243.266 g/mol
SMILES C(C=1C(=CC=CC1)N1C(NC(C1=O)C(C)C)=O)#N
Spectrum/Structure Validation Score (Vapor Phase IR) 0.92108