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1-[3-[2-(2-chlorobenzyl)oxyphenyl]-4-(4-methoxyphenyl)-2-phenyl-3H-1,2,4-triazol-5-yl]ethanone
SpectraBase Compound ID 3nQP8j2uBoc
InChI InChI=1S/C30H26ClN3O3/c1-21(35)29-32-34(24-11-4-3-5-12-24)30(33(29)23-16-18-25(36-2)19-17-23)26-13-7-9-15-28(26)37-20-22-10-6-8-14-27(22)31/h3-19,30H,20H2,1-2H3
InChIKey QNDRRFNQURYCTR-UHFFFAOYSA-N
Mol Weight 512.01 g/mol
Molecular Formula C30H26ClN3O3
Exact Mass 511.166269 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7kXJ2qcTtH9
Name 1-[3-[2-(2-chlorobenzyl)oxyphenyl]-4-(4-methoxyphenyl)-2-phenyl-3H-1,2,4-triazol-5-yl]ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H26ClN3O3
InChI InChI=1S/C30H26ClN3O3/c1-21(35)29-32-34(24-11-4-3-5-12-24)30(33(29)23-16-18-25(36-2)19-17-23)26-13-7-9-15-28(26)37-20-22-10-6-8-14-27(22)31/h3-19,30H,20H2,1-2H3
InChIKey QNDRRFNQURYCTR-UHFFFAOYSA-N
Molecular Weight 512.009 g/mol
SMILES c1ccc(N2C(N(C(=N2)C(=O)C)c2ccc(cc2)OC)c2c(OCc3c(Cl)cccc3)cccc2)cc1
SPLASH splash10-0006-0191030000-00fdf246e7b31c0b12c2
Synonyms 1-[3-[2-[(2-chlorophenyl)methoxy]phenyl]-4-(4-methoxyphenyl)-2-phenyl-3H-1,2,4-triazol-5-yl]ethanone
Wiley ID 1454705