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2-Thiazoleacetonitrile, 4-(4-chlorophenyl)-alpha-[(2,5-dimethoxyphenyl)methylene]-
SpectraBase Compound ID IeidIV0P02E
InChI InChI=1S/C20H15ClN2O2S/c1-24-17-7-8-19(25-2)14(10-17)9-15(11-22)20-23-18(12-26-20)13-3-5-16(21)6-4-13/h3-10,12H,1-2H3/b15-9+
InChIKey CYOROANDZSQJJF-OQLLNIDSSA-N
Mol Weight 382.87 g/mol
Molecular Formula C20H15ClN2O2S
Exact Mass 382.054277 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7K2qs6CLcuq
Name 2-Thiazoleacetonitrile, 4-(4-chlorophenyl)-alpha-[(2,5-dimethoxyphenyl)methylene]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 382.054276603 u
Formula C20H15ClN2O2S
InChI InChI=1S/C20H15ClN2O2S/c1-24-17-7-8-19(25-2)14(10-17)9-15(11-22)20-23-18(12-26-20)13-3-5-16(21)6-4-13/h3-10,12H,1-2H3/b15-9+
InChIKey CYOROANDZSQJJF-OQLLNIDSSA-N
Molecular Weight 382.865 g/mol
SMILES COC1=CC(\C=C\(C2=NC(=CS2)C2=CC=C(C=C2)Cl)C#N)=C(C=C1)OC