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1-[5-[2-(2-chloro-benzyloxy)-3-methoxy-phenyl]-1,4-di-p-tolyl-4,5-dihydro-1H-[1,2,4]triazol-3-yl]-ethanone

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1-[5-[2-(2-chloro-benzyloxy)-3-methoxy-phenyl]-1,4-di-p-tolyl-4,5-dihydro-1H-[1,2,4]triazol-3-yl]-ethanone
SpectraBase Compound ID 1QxAg0Leree
InChI InChI=1S/C32H30ClN3O3/c1-21-12-16-25(17-13-21)35-31(23(3)37)34-36(26-18-14-22(2)15-19-26)32(35)27-9-7-11-29(38-4)30(27)39-20-24-8-5-6-10-28(24)33/h5-19,32H,20H2,1-4H3
InChIKey KEHGEIRMBFQWGN-UHFFFAOYSA-N
Mol Weight 540.1 g/mol
Molecular Formula C32H30ClN3O3
Exact Mass 539.19757 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5r0EdejXr9y
Name 1-[5-[2-(2-chloro-benzyloxy)-3-methoxy-phenyl]-1,4-di-p-tolyl-4,5-dihydro-1H-[1,2,4]triazol-3-yl]-ethanone
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H30ClN3O3
InChI InChI=1S/C32H30ClN3O3/c1-21-12-16-25(17-13-21)35-31(23(3)37)34-36(26-18-14-22(2)15-19-26)32(35)27-9-7-11-29(38-4)30(27)39-20-24-8-5-6-10-28(24)33/h5-19,32H,20H2,1-4H3
InChIKey KEHGEIRMBFQWGN-UHFFFAOYSA-N
Molecular Weight 540.063 g/mol
SMILES c1ccc(COc2c(C3N(C(=NN3c3ccc(cc3)C)C(=O)C)c3ccc(cc3)C)cccc2OC)c(Cl)c1
SPLASH splash10-0006-1391010000-798a2163000a2f40cf4b
Synonyms 1-[5-{2-[(2-chlorobenzyl)oxy]-3-methoxyphenyl}-1,4-bis(4-methylphenyl)-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethanone
Wiley ID 1455147