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1-[3-[3-bromanyl-4-[(2-chlorophenyl)methoxy]-5-methoxy-phenyl]-4-(4-ethoxyphenyl)-2-phenyl-3H-1,2,4-triazol-5-yl]ethanone

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1-[3-[3-bromanyl-4-[(2-chlorophenyl)methoxy]-5-methoxy-phenyl]-4-(4-ethoxyphenyl)-2-phenyl-3H-1,2,4-triazol-5-yl]ethanone
SpectraBase Compound ID 760ZI8f5gef
InChI InChI=1S/C32H29BrClN3O4/c1-4-40-26-16-14-24(15-17-26)36-31(21(2)38)35-37(25-11-6-5-7-12-25)32(36)23-18-27(33)30(29(19-23)39-3)41-20-22-10-8-9-13-28(22)34/h5-19,32H,4,20H2,1-3H3
InChIKey ZOTITMGIVVQLRJ-UHFFFAOYSA-N
Mol Weight 635.0 g/mol
Molecular Formula C32H29BrClN3O4
Exact Mass 633.102997 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5hl3Lz2WXGk
Name 1-[3-[3-bromanyl-4-[(2-chlorophenyl)methoxy]-5-methoxy-phenyl]-4-(4-ethoxyphenyl)-2-phenyl-3H-1,2,4-triazol-5-yl]ethanone
Alternate Name(s) 1-[3-[3-bromo-4-(2-chlorobenzyl)oxy-5-methoxy-phenyl]-2-phenyl-4-p-phenetyl-3H-1,2,4-triazol-5-yl]ethanone 1-[3-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxy-phenyl]-4-(4-ethoxyphenyl)-2-phenyl-3H-1,2,4-triazol-5-yl]ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H29BrClN3O4
InChI InChI=1S/C32H29BrClN3O4/c1-4-40-26-16-14-24(15-17-26)36-31(21(2)38)35-37(25-11-6-5-7-12-25)32(36)23-18-27(33)30(29(19-23)39-3)41-20-22-10-8-9-13-28(22)34/h5-19,32H,4,20H2,1-3H3
InChIKey ZOTITMGIVVQLRJ-UHFFFAOYSA-N
Molecular Weight 634.958 g/mol
SMILES c1ccc(N2C(N(C(=N2)C(=O)C)c2ccc(cc2)OCC)c2cc(Br)c(c(c2)OC)OCc2c(Cl)cccc2)cc1
SPLASH splash10-0a4i-2419104000-86077b7cdc8d20be016a
Wiley ID 1437477