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1-(1,3-Benzodioxol-5-yl)-4,5-dimethyl-1H-imidazole 3-oxide

View entire compound with spectra: 1 FTIR

1-(1,3-Benzodioxol-5-yl)-4,5-dimethyl-1H-imidazole 3-oxide
SpectraBase Compound ID 4sm51hrbxM5
InChI InChI=1S/C12H12N2O3/c1-8-9(2)14(15)6-13(8)10-3-4-11-12(5-10)17-7-16-11/h3-6H,7H2,1-2H3
InChIKey CCARJBUDCOWBJY-UHFFFAOYSA-N
Mol Weight 232.24 g/mol
Molecular Formula C12H12N2O3
Exact Mass 232.084792 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Dy7dndhMCVl
Name 1-(1,3-Benzodioxol-5-yl)-4,5-dimethyl-1H-imidazole 3-oxide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 232.084792251 u
Formula C12H12N2O3
InChI InChI=1S/C12H12N2O3/c1-8-9(2)14(15)6-13(8)10-3-4-11-12(5-10)17-7-16-11/h3-6H,7H2,1-2H3
InChIKey CCARJBUDCOWBJY-UHFFFAOYSA-N
Molecular Weight 232.239 g/mol
SMILES C=1(N(C=N(C1C)=O)C1=CC=C2C(=C1)OCO2)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.955923