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4-[(3,5-diphenyl-1,2,4-triazol-4-yl)methyl]benzoic acid phenyl ester
SpectraBase Compound ID 9kd4fRTmwPu
InChI InChI=1S/C28H21N3O2/c32-28(33-25-14-8-3-9-15-25)24-18-16-21(17-19-24)20-31-26(22-10-4-1-5-11-22)29-30-27(31)23-12-6-2-7-13-23/h1-19H,20H2
InChIKey SPPTYCRPSBBPTL-UHFFFAOYSA-N
Mol Weight 431.5 g/mol
Molecular Formula C28H21N3O2
Exact Mass 431.163377 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3dVMAN5UG0u
Name 4-[(3,5-diphenyl-1,2,4-triazol-4-yl)methyl]benzoic acid phenyl ester
Alternate Name(s) phenyl 4-[(3,5-diphenyl-1,2,4-triazol-4-yl)methyl]benzoate Phenyl 4-[(3,5-diphenyl-4H-1,2,4-triazol-4-yl)methyl]benzoate
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Formula C28H21N3O2
InChI InChI=1S/C28H21N3O2/c32-28(33-25-14-8-3-9-15-25)24-18-16-21(17-19-24)20-31-26(22-10-4-1-5-11-22)29-30-27(31)23-12-6-2-7-13-23/h1-19H,20H2
InChIKey SPPTYCRPSBBPTL-UHFFFAOYSA-N
Molecular Weight 431.495 g/mol
SMILES c1ccc(OC(c2ccc(C[n]3c(nnc3-c3ccccc3)-c3ccccc3)cc2)=O)cc1
SPLASH splash10-00kr-9300000000-03813073fb3493c716ff
Wiley ID 1512366