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

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

1-[3-(1,3-benzodioxol-5-yl)-4-(4-chlorophenyl)-2-(4-methoxyphenyl)-3H-1,2,4-triazol-5-yl]ethanone
SpectraBase Compound ID uK8W5aklVY
InChI InChI=1S/C24H20ClN3O4/c1-15(29)23-26-28(19-8-10-20(30-2)11-9-19)24(27(23)18-6-4-17(25)5-7-18)16-3-12-21-22(13-16)32-14-31-21/h3-13,24H,14H2,1-2H3
InChIKey FEYFTAFHGVHWOO-UHFFFAOYSA-N
Mol Weight 449.89 g/mol
Molecular Formula C24H20ClN3O4
Exact Mass 449.114234 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EvxYuD29mRg
Name 1-[3-(1,3-benzodioxol-5-yl)-4-(4-chlorophenyl)-2-(4-methoxyphenyl)-3H-1,2,4-triazol-5-yl]ethanone
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H20ClN3O4
InChI InChI=1S/C24H20ClN3O4/c1-15(29)23-26-28(19-8-10-20(30-2)11-9-19)24(27(23)18-6-4-17(25)5-7-18)16-3-12-21-22(13-16)32-14-31-21/h3-13,24H,14H2,1-2H3
InChIKey FEYFTAFHGVHWOO-UHFFFAOYSA-N
Molecular Weight 449.894 g/mol
SMILES COc1ccc(N2C(N(C(=N2)C(=O)C)c2ccc(cc2)Cl)c2cc3OCOc3cc2)cc1
SPLASH splash10-002b-5838900000-93e3511bafeee430c92a
Wiley ID 1455226