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(E)-3-(4-Chlorophenyl)-1-[1-(4-ethoxyphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]prop-2-en-1-one

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(E)-3-(4-Chlorophenyl)-1-[1-(4-ethoxyphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]prop-2-en-1-one
SpectraBase Compound ID KCh2PhR3rYx
InChI InChI=1S/C20H18ClN3O2/c1-3-26-18-11-9-17(10-12-18)24-14(2)20(22-23-24)19(25)13-6-15-4-7-16(21)8-5-15/h4-13H,3H2,1-2H3/b13-6+
InChIKey DYNRROIEWIVVJC-AWNIVKPZSA-N
Mol Weight 367.84 g/mol
Molecular Formula C20H18ClN3O2
Exact Mass 367.108755 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CGxWRZiCfP7
Name (E)-3-(4-Chlorophenyl)-1-[1-(4-ethoxyphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]prop-2-en-1-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 367.108754530 u
Formula C20H18ClN3O2
InChI InChI=1S/C20H18ClN3O2/c1-3-26-18-11-9-17(10-12-18)24-14(2)20(22-23-24)19(25)13-6-15-4-7-16(21)8-5-15/h4-13H,3H2,1-2H3/b13-6+
InChIKey DYNRROIEWIVVJC-AWNIVKPZSA-N
Molecular Weight 367.836 g/mol
SMILES C1=CC(=CC=C1N1N=NC(=C1C)C(\C=C\C1=CC=C(C=C1)Cl)=O)OCC