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1-[5-[2-(2,4-dichloro-benzyloxy)-3-methoxy-phenyl]-4-(4-dimethylamino-phenyl)-1-phenyl-4,5-dihydro-1H-[1,2,4]triazol-3-yl]-ethanone
SpectraBase Compound ID F4yIZ3EMlrw
InChI InChI=1S/C32H30Cl2N4O3/c1-21(39)31-35-38(26-9-6-5-7-10-26)32(37(31)25-17-15-24(16-18-25)36(2)3)27-11-8-12-29(40-4)30(27)41-20-22-13-14-23(33)19-28(22)34/h5-19,32H,20H2,1-4H3
InChIKey IKWVHSFDURJMKJ-UHFFFAOYSA-N
Mol Weight 589.5 g/mol
Molecular Formula C32H30Cl2N4O3
Exact Mass 588.169496 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2IG3y2kBCBB
Name 1-[5-[2-(2,4-dichloro-benzyloxy)-3-methoxy-phenyl]-4-(4-dimethylamino-phenyl)-1-phenyl-4,5-dihydro-1H-[1,2,4]triazol-3-yl]-ethanone
Alternate Name(s) 1-[3-[2-(2,4-dichlorobenzyl)oxy-3-methoxy-phenyl]-4-(4-dimethylaminophenyl)-2-phenyl-3H-1,2,4-triazol-5-yl]ethanone 1-[3-[2-[(2,4-dichlorophenyl)methoxy]-3-methoxy-phenyl]-4-(4-dimethylaminophenyl)-2-phenyl-3H-1,2,4-triazol-5-yl]ethanone 1-[3-[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-4-[4-(dimethylamino)phenyl]-2-phenyl-3H-1,2,4-triazol-5-yl]ethanone 1-[3-[2-[(2,4-dichlorophenyl)methoxy]-3-methoxy-phenyl]-4-[4-(dimethylamino)phenyl]-2-phenyl-3H-1,2,4-triazol-5-yl]ethanone
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Formula C32H30Cl2N4O3
InChI InChI=1S/C32H30Cl2N4O3/c1-21(39)31-35-38(26-9-6-5-7-10-26)32(37(31)25-17-15-24(16-18-25)36(2)3)27-11-8-12-29(40-4)30(27)41-20-22-13-14-23(33)19-28(22)34/h5-19,32H,20H2,1-4H3
InChIKey IKWVHSFDURJMKJ-UHFFFAOYSA-N
Molecular Weight 589.523 g/mol
SMILES c1ccc(N2C(N(C(=N2)C(=O)C)c2ccc(cc2)N(C)C)c2c(OCc3c(cc(cc3)Cl)Cl)c(OC)ccc2)cc1
SPLASH splash10-0a4i-0319130000-9c0f9205cdf22ef552be
Wiley ID 1454714