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acetic acid, [4-[[[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]methyl]phenoxy]-, methyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

acetic acid, [4-[[[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]methyl]phenoxy]-, methyl ester
SpectraBase Compound ID 7wpR4N8AgE4
InChI InChI=1S/C24H20ClN3O3S/c1-30-22(29)15-31-21-13-7-17(8-14-21)16-32-24-27-26-23(18-9-11-19(25)12-10-18)28(24)20-5-3-2-4-6-20/h2-14H,15-16H2,1H3
InChIKey GRXKLVJEWWYKRI-UHFFFAOYSA-N
Mol Weight 465.96 g/mol
Molecular Formula C24H20ClN3O3S
Exact Mass 465.09139 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1zHmjjDal4Y
Name 2-[4-[[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]phenoxy]acetic acid methyl ester
Alternate Name(s) Methyl 2-[4-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]phenoxy]acetate Methyl 2-[4-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]phenoxy]ethanoate
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Formula C24H20ClN3O3S
InChI InChI=1S/C24H20ClN3O3S/c1-30-22(29)15-31-21-13-7-17(8-14-21)16-32-24-27-26-23(18-9-11-19(25)12-10-18)28(24)20-5-3-2-4-6-20/h2-14H,15-16H2,1H3
InChIKey GRXKLVJEWWYKRI-UHFFFAOYSA-N
Molecular Weight 465.955 g/mol
SMILES c1ccc(-[n]2c(nnc2SCc2ccc(OCC(=O)OC)cc2)-c2ccc(cc2)Cl)cc1
SPLASH splash10-004i-6910000000-257c007798b9ba2c67cd
Wiley ID 1461039