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2-[2-bromanyl-4-[2-(4-chlorophenyl)-5-ethanoyl-4-(4-methoxyphenyl)-3H-1,2,4-triazol-3-yl]-6-methoxy-phenoxy]-1-morpholin-4-yl-ethanone

View entire compound with spectra: 1 MS (GC)

2-[2-bromanyl-4-[2-(4-chlorophenyl)-5-ethanoyl-4-(4-methoxyphenyl)-3H-1,2,4-triazol-3-yl]-6-methoxy-phenoxy]-1-morpholin-4-yl-ethanone
SpectraBase Compound ID 48ZgLsbYu2r
InChI InChI=1S/C30H30BrClN4O6/c1-19(37)29-33-36(23-6-4-21(32)5-7-23)30(35(29)22-8-10-24(39-2)11-9-22)20-16-25(31)28(26(17-20)40-3)42-18-27(38)34-12-14-41-15-13-34/h4-11,16-17,30H,12-15,18H2,1-3H3
InChIKey OKOUIEOOEYPPBX-UHFFFAOYSA-N
Mol Weight 657.95 g/mol
Molecular Formula C30H30BrClN4O6
Exact Mass 656.103725 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9JsMDs2YeWR
Name 2-[2-bromanyl-4-[2-(4-chlorophenyl)-5-ethanoyl-4-(4-methoxyphenyl)-3H-1,2,4-triazol-3-yl]-6-methoxy-phenoxy]-1-morpholin-4-yl-ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H30BrClN4O6
InChI InChI=1S/C30H30BrClN4O6/c1-19(37)29-33-36(23-6-4-21(32)5-7-23)30(35(29)22-8-10-24(39-2)11-9-22)20-16-25(31)28(26(17-20)40-3)42-18-27(38)34-12-14-41-15-13-34/h4-11,16-17,30H,12-15,18H2,1-3H3
InChIKey OKOUIEOOEYPPBX-UHFFFAOYSA-N
Molecular Weight 657.949 g/mol
SMILES COc1ccc(N2C(=NN(C2c2cc(Br)c(c(c2)OC)OCC(N2CCOCC2)=O)c2ccc(cc2)Cl)C(=O)C)cc1
SPLASH splash10-056u-6619003000-849b372eed3a3e9a151b
Synonyms 2-[4-[5-acetyl-2-(4-chlorophenyl)-4-(4-methoxyphenyl)-3H-1,2,4-triazol-3-yl]-2-bromo-6-methoxy-phenoxy]-1-morpholino-ethanone 2-[4-[5-acetyl-2-(4-chlorophenyl)-4-(4-methoxyphenyl)-3H-1,2,4-triazol-3-yl]-2-bromo-6-methoxyphenoxy]-1-(4-morpholinyl)ethanone 2-[4-[5-acetyl-2-(4-chlorophenyl)-4-(4-methoxyphenyl)-3H-1,2,4-triazol-3-yl]-2-bromo-6-methoxyphenoxy]-1-morpholin-4-ylethanone
Wiley ID 1437473