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(2Z)-2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)-2-propenenitrile

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(2Z)-2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)-2-propenenitrile
SpectraBase Compound ID 92fK5aK3Rdp
InChI InChI=1S/C21H16Cl2N2O3S/c1-26-18-7-12(8-19(27-2)20(18)28-3)6-13(10-24)21-25-17(11-29-21)15-5-4-14(22)9-16(15)23/h4-9,11H,1-3H3/b13-6-
InChIKey KISYFYQMUPZDRO-MLPAPPSSSA-N
Mol Weight 447.34 g/mol
Molecular Formula C21H16Cl2N2O3S
Exact Mass 446.025869 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AMsz16PNL1G
Name (2Z)-2-[4-(2,4-Dichlorophenyl)-1,3-thiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)-2-propenenitrile
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 446.025868954 u
Formula C21H16Cl2N2O3S
InChI InChI=1S/C21H16Cl2N2O3S/c1-26-18-7-12(8-19(27-2)20(18)28-3)6-13(10-24)21-25-17(11-29-21)15-5-4-14(22)9-16(15)23/h4-9,11H,1-3H3/b13-6-
InChIKey KISYFYQMUPZDRO-MLPAPPSSSA-N
Molecular Weight 447.336 g/mol
SMILES COC1=CC(\C=C/(C2=NC(C=3C(=CC(=CC3)Cl)Cl)=CS2)C#N)=CC(=C1OC)OC