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(2Z)-2-cyano-N-cyclohexyl-3-{4-[(2,4-dichlorobenzyl)oxy]phenyl}-2-propenamide
SpectraBase Compound ID 2NFRXv6WMWc
InChI InChI=1S/C23H22Cl2N2O2/c24-19-9-8-17(22(25)13-19)15-29-21-10-6-16(7-11-21)12-18(14-26)23(28)27-20-4-2-1-3-5-20/h6-13,20H,1-5,15H2,(H,27,28)/b18-12-
InChIKey ZTCJPXKITSKAQZ-PDGQHHTCSA-N
Mol Weight 429.35 g/mol
Molecular Formula C23H22Cl2N2O2
Exact Mass 428.105833 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8zCfW9FCbiQ
Name (2Z)-2-Cyano-N-cyclohexyl-3-{4-[(2,4-dichlorobenzyl)oxy]phenyl}-2-propenamide
Comments Computed using HOSE algorithm
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Exact Mass 428.105833354 u
Formula C23H22Cl2N2O2
InChI InChI=1S/C23H22Cl2N2O2/c24-19-9-8-17(22(25)13-19)15-29-21-10-6-16(7-11-21)12-18(14-26)23(28)27-20-4-2-1-3-5-20/h6-13,20H,1-5,15H2,(H,27,28)/b18-12-
InChIKey ZTCJPXKITSKAQZ-PDGQHHTCSA-N
Molecular Weight 429.347 g/mol
SMILES N(C(\C(=C/C=1C=CC(OCC=2C(=CC(=CC2)Cl)Cl)=CC1)C#N)=O)C1CCCCC1