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1-[3-[2-(2-chlorobenzyl)oxy-3-ethoxy-phenyl]-4-(4-chlorophenyl)-2-phenyl-3H-1,2,4-triazol-5-yl]ethanone
SpectraBase Compound ID HQ8sslRnF9g
InChI InChI=1S/C31H27Cl2N3O3/c1-3-38-28-15-9-13-26(29(28)39-20-22-10-7-8-14-27(22)33)31-35(24-18-16-23(32)17-19-24)30(21(2)37)34-36(31)25-11-5-4-6-12-25/h4-19,31H,3,20H2,1-2H3
InChIKey XVDZXVQAAOQVOR-UHFFFAOYSA-N
Mol Weight 560.48 g/mol
Molecular Formula C31H27Cl2N3O3
Exact Mass 559.142947 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1SeGmbJxY4E
Name 1-[3-[2-(2-chlorobenzyl)oxy-3-ethoxy-phenyl]-4-(4-chlorophenyl)-2-phenyl-3H-1,2,4-triazol-5-yl]ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H27Cl2N3O3
InChI InChI=1S/C31H27Cl2N3O3/c1-3-38-28-15-9-13-26(29(28)39-20-22-10-7-8-14-27(22)33)31-35(24-18-16-23(32)17-19-24)30(21(2)37)34-36(31)25-11-5-4-6-12-25/h4-19,31H,3,20H2,1-2H3
InChIKey XVDZXVQAAOQVOR-UHFFFAOYSA-N
Molecular Weight 560.481 g/mol
SMILES c1ccc(N2C(N(C(=N2)C(=O)C)c2ccc(cc2)Cl)c2c(OCc3c(Cl)cccc3)c(OCC)ccc2)cc1
SPLASH splash10-0002-0193130000-220c30293e3ee0812f26
Synonyms 1-[4-(4-chlorophenyl)-3-[2-[(2-chlorophenyl)methoxy]-3-ethoxy-phenyl]-2-phenyl-3H-1,2,4-triazol-5-yl]ethanone
Wiley ID 1454710