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Ethyl 1-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-4-[4-(dimethylamino)phenyl]-4,5-dihydro-1H-1,2,4-triazole-3-carboxylate
SpectraBase Compound ID DLRwdpjOOfr
InChI InChI=1S/C27H29ClN4O4/c1-6-36-27(33)25-29-32(22-10-8-19(28)9-11-22)26(18-7-16-23(34-4)24(17-18)35-5)31(25)21-14-12-20(13-15-21)30(2)3/h7-17,26H,6H2,1-5H3
InChIKey YEBOTOJULWLTAE-UHFFFAOYSA-N
Mol Weight 509.01 g/mol
Molecular Formula C27H29ClN4O4
Exact Mass 508.187733 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bj6C4btH2xK
Name Ethyl 1-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-4-[4-(dimethylamino)phenyl]-4,5-dihydro-1H-1,2,4-triazole-3-carboxylate
Alternate Name(s) Ethyl 2-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-4-(4-dimethylaminophenyl)-3H-1,2,4-triazole-5-carboxylate Ethyl 2-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-4-[4-(dimethylamino)phenyl]-3H-1,2,4-triazole-5-carboxylate
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Formula C27H29ClN4O4
InChI InChI=1S/C27H29ClN4O4/c1-6-36-27(33)25-29-32(22-10-8-19(28)9-11-22)26(18-7-16-23(34-4)24(17-18)35-5)31(25)21-14-12-20(13-15-21)30(2)3/h7-17,26H,6H2,1-5H3
InChIKey YEBOTOJULWLTAE-UHFFFAOYSA-N
Molecular Weight 509.006 g/mol
SMILES C=1(N(C(c2cc(OC)c(cc2)OC)N(N1)c1ccc(cc1)Cl)c1ccc(cc1)N(C)C)C(=O)OCC
SPLASH splash10-05fr-2945040000-647ac3b1798d186c8eb2
Wiley ID 1437387