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1-[3-[4-(2,4-dichlorobenzyl)oxy-3-methoxy-phenyl]-4-p-phenetyl-2-(p-tolyl)-3H-1,2,4-triazol-5-yl]ethanone

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1-[3-[4-(2,4-dichlorobenzyl)oxy-3-methoxy-phenyl]-4-p-phenetyl-2-(p-tolyl)-3H-1,2,4-triazol-5-yl]ethanone
SpectraBase Compound ID KBj5j0V32yZ
InChI InChI=1S/C33H31Cl2N3O4/c1-5-41-28-15-13-26(14-16-28)37-32(22(3)39)36-38(27-11-6-21(2)7-12-27)33(37)23-9-17-30(31(18-23)40-4)42-20-24-8-10-25(34)19-29(24)35/h6-19,33H,5,20H2,1-4H3
InChIKey LDKDVTJWXFJQNH-UHFFFAOYSA-N
Mol Weight 604.5 g/mol
Molecular Formula C33H31Cl2N3O4
Exact Mass 603.169162 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID SbUCfRkpqn
Name 1-[3-[4-(2,4-dichlorobenzyl)oxy-3-methoxy-phenyl]-4-p-phenetyl-2-(p-tolyl)-3H-1,2,4-triazol-5-yl]ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H31Cl2N3O4
InChI InChI=1S/C33H31Cl2N3O4/c1-5-41-28-15-13-26(14-16-28)37-32(22(3)39)36-38(27-11-6-21(2)7-12-27)33(37)23-9-17-30(31(18-23)40-4)42-20-24-8-10-25(34)19-29(24)35/h6-19,33H,5,20H2,1-4H3
InChIKey LDKDVTJWXFJQNH-UHFFFAOYSA-N
Molecular Weight 604.534 g/mol
SMILES CCOc1ccc(N2C(=NN(C2c2cc(OC)c(cc2)OCc2c(cc(cc2)Cl)Cl)c2ccc(cc2)C)C(=O)C)cc1
SPLASH splash10-0kmi-1519006000-e0310e3b3d1eb64e6b2b
Synonyms 1-[3-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxy-phenyl]-4-(4-ethoxyphenyl)-2-(4-methylphenyl)-3H-1,2,4-triazol-5-yl]ethanone 1-[3-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxy-phenyl]-4-(4-ethoxyphenyl)-2-(p-tolyl)-3H-1,2,4-triazol-5-yl]ethanone
Wiley ID 1455222