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1-[(2E)-3-(1,3-benzodioxol-5-yl)-2-propenoyl]-5,6-dimethyl-1H-benzimidazole
SpectraBase Compound ID LUxyCsZtEfy
InChI InChI=1S/C19H16N2O3/c1-12-7-15-16(8-13(12)2)21(10-20-15)19(22)6-4-14-3-5-17-18(9-14)24-11-23-17/h3-10H,11H2,1-2H3/b6-4+
InChIKey JHOPVIFFKJDXCJ-GQCTYLIASA-N
Mol Weight 320.35 g/mol
Molecular Formula C19H16N2O3
Exact Mass 320.116092 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FoFIH25jQv8
Name 1-[(2E)-3-(1,3-Benzodioxol-5-yl)-2-propenoyl]-5,6-dimethyl-1H-benzimidazole
Comments Computed using HOSE algorithm
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Exact Mass 320.116092380 u
Formula C19H16N2O3
InChI InChI=1S/C19H16N2O3/c1-12-7-15-16(8-13(12)2)21(10-20-15)19(22)6-4-14-3-5-17-18(9-14)24-11-23-17/h3-10H,11H2,1-2H3/b6-4+
InChIKey JHOPVIFFKJDXCJ-GQCTYLIASA-N
Molecular Weight 320.348 g/mol
SMILES CC=1C(=CC=2N(C=NC2C1)C(\C=C\C1=CC=2OCOC2C=C1)=O)C