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(2E)-2-cyano-N-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-2-propenamide
SpectraBase Compound ID dWZpJDnztD
InChI InChI=1S/C20H17N3O3/c1-25-15-7-8-18(19(10-15)26-2)23-20(24)13(11-21)9-14-12-22-17-6-4-3-5-16(14)17/h3-10,12,22H,1-2H3,(H,23,24)/b13-9+
InChIKey IQMNERYJRJUSJP-UKTHLTGXSA-N
Mol Weight 347.37 g/mol
Molecular Formula C20H17N3O3
Exact Mass 347.126991 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID zZzHJNR72h
Name (2E)-2-Cyano-N-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-2-propenamide
Comments Computed using HOSE algorithm
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Exact Mass 347.126991416 u
Formula C20H17N3O3
InChI InChI=1S/C20H17N3O3/c1-25-15-7-8-18(19(10-15)26-2)23-20(24)13(11-21)9-14-12-22-17-6-4-3-5-16(14)17/h3-10,12,22H,1-2H3,(H,23,24)/b13-9+
InChIKey IQMNERYJRJUSJP-UKTHLTGXSA-N
SMILES N1C2=C(C(\C=C\(C(NC=3C(=CC(=CC3)OC)OC)=O)C#N)=C1)C=CC=C2