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Ethyl N-(6-methyl-2-oxidanylidene-3H-benzimidazol-1-yl)carbamate

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

Ethyl N-(6-methyl-2-oxidanylidene-3H-benzimidazol-1-yl)carbamate
SpectraBase Compound ID BciOd1oS5Py
InChI InChI=1S/C11H13N3O3/c1-3-17-11(16)13-14-9-6-7(2)4-5-8(9)12-10(14)15/h4-6H,3H2,1-2H3,(H,12,15)(H,13,16)
InChIKey MSXRTAZHNULLHG-UHFFFAOYSA-N
Mol Weight 235.24 g/mol
Molecular Formula C11H13N3O3
Exact Mass 235.095691 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DHmjDdCsMbP
Name Ethyl N-(6-methyl-2-oxidanylidene-3H-benzimidazol-1-yl)carbamate
Comments Computed using SmartSpectra Model v1.42
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Exact Mass 235.095691288 u
Formula C11H13N3O3
InChI InChI=1S/C11H13N3O3/c1-3-17-11(16)13-14-9-6-7(2)4-5-8(9)12-10(14)15/h4-6H,3H2,1-2H3,(H,12,15)(H,13,16)
InChIKey MSXRTAZHNULLHG-UHFFFAOYSA-N
Molecular Weight 235.243 g/mol
SMILES C1(NC=2C(N1NC(=O)OCC)=CC(=CC2)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.852798