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1-[5-(1,3-benzodioxol-5-yl)-1-(4-chlorophenyl)-4-(4-ethoxyphenyl)-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethanone

View entire compound with spectra: 1 MS (GC)

1-[5-(1,3-benzodioxol-5-yl)-1-(4-chlorophenyl)-4-(4-ethoxyphenyl)-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethanone
SpectraBase Compound ID aY8A9peIaU
InChI InChI=1S/C25H22ClN3O4/c1-3-31-21-11-9-19(10-12-21)28-24(16(2)30)27-29(20-7-5-18(26)6-8-20)25(28)17-4-13-22-23(14-17)33-15-32-22/h4-14,25H,3,15H2,1-2H3
InChIKey MNIUNTIYBRXBBA-UHFFFAOYSA-N
Mol Weight 463.92 g/mol
Molecular Formula C25H22ClN3O4
Exact Mass 463.129884 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ba0SMeg8vNI
Name 1-[5-(1,3-benzodioxol-5-yl)-1-(4-chlorophenyl)-4-(4-ethoxyphenyl)-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H22ClN3O4
InChI InChI=1S/C25H22ClN3O4/c1-3-31-21-11-9-19(10-12-21)28-24(16(2)30)27-29(20-7-5-18(26)6-8-20)25(28)17-4-13-22-23(14-17)33-15-32-22/h4-14,25H,3,15H2,1-2H3
InChIKey MNIUNTIYBRXBBA-UHFFFAOYSA-N
Molecular Weight 463.921 g/mol
SMILES CCOc1ccc(N2C(=NN(C2c2cc3OCOc3cc2)c2ccc(cc2)Cl)C(=O)C)cc1
SPLASH splash10-0006-3659400000-fb1de7017e6b3cb418ce
Synonyms 1-[3-(1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)-4-(4-ethoxyphenyl)-3H-1,2,4-triazol-5-yl]ethanone 1-[3-(1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)-4-p-phenetyl-3H-1,2,4-triazol-5-yl]ethanone
Wiley ID 1437382