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1-[3-[2-[(2,4-dichlorophenyl)methoxy]phenyl]-4-(4-dimethylaminophenyl)-2-phenyl-3H-1,2,4-triazol-5-yl]ethanone
SpectraBase Compound ID AWSp7e5pBc9
InChI InChI=1S/C31H28Cl2N4O2/c1-21(38)30-34-37(26-9-5-4-6-10-26)31(36(30)25-17-15-24(16-18-25)35(2)3)27-11-7-8-12-29(27)39-20-22-13-14-23(32)19-28(22)33/h4-19,31H,20H2,1-3H3
InChIKey PCAAPDILQYFKER-UHFFFAOYSA-N
Mol Weight 559.5 g/mol
Molecular Formula C31H28Cl2N4O2
Exact Mass 558.158932 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8VnZZRlHjJu
Name 1-[3-[2-[(2,4-dichlorophenyl)methoxy]phenyl]-4-(4-dimethylaminophenyl)-2-phenyl-3H-1,2,4-triazol-5-yl]ethanone
Alternate Name(s) 1-[3-[2-[(2,4-dichlorophenyl)methoxy]phenyl]-4-[4-(dimethylamino)phenyl]-2-phenyl-3H-1,2,4-triazol-5-yl]ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H28Cl2N4O2
InChI InChI=1S/C31H28Cl2N4O2/c1-21(38)30-34-37(26-9-5-4-6-10-26)31(36(30)25-17-15-24(16-18-25)35(2)3)27-11-7-8-12-29(27)39-20-22-13-14-23(32)19-28(22)33/h4-19,31H,20H2,1-3H3
InChIKey PCAAPDILQYFKER-UHFFFAOYSA-N
Molecular Weight 559.497 g/mol
SMILES c1ccc(N2C(N(C(=N2)C(=O)C)c2ccc(cc2)N(C)C)c2c(OCc3c(cc(cc3)Cl)Cl)cccc2)cc1
SPLASH splash10-0a4i-0319030000-9a382f4ce78ad27104be
Wiley ID 1454712