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(E)-2-(1H-imidazol-1-yl)-3-(4-methoxyphenyl)acrylonitrile
SpectraBase Compound ID E3BioXC4tDR
InChI InChI=1S/C13H11N3O/c1-17-13-4-2-11(3-5-13)8-12(9-14)16-7-6-15-10-16/h2-8,10H,1H3/b12-8+
InChIKey KNMFCZFSOCATIW-XYOKQWHBSA-N
Mol Weight 225.25 g/mol
Molecular Formula C13H11N3O
Exact Mass 225.090212 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CVVRN0zqFK3
Name (E)-2-(1H-imidazol-1-yl)-3-(4-methoxyphenyl)acrylonitrile
Appearance Light yellow solid
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Exact Mass 225.090211985 u
Formula C13H11N3O
InChI InChI=1S/C13H11N3O/c1-17-13-4-2-11(3-5-13)8-12(9-14)16-7-6-15-10-16/h2-8,10H,1H3/b12-8+
InChIKey KNMFCZFSOCATIW-XYOKQWHBSA-N
Ionization Type EI positive ion
Literature Reference DOI 10.1002/chem.201601483
Molecular Weight 225.251 g/mol
Quality 802
Reported Formula C13H11N3O
SMILES C=1N(C=CN1)\C(=C\C1=CC=C(C=C1)OC)C#N
SPLASH splash10-0a6r-0950000000-b18a383007cee29767fb
Source of Spectrum QE-22-SM69-(E)-5 (DOI: 10.1002/chem.201601483)
Wiley ID 1904932