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3-[[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester

View entire compound with spectra: 1 MS (GC)

3-[[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester
SpectraBase Compound ID ELwjC0VOsnw
InChI InChI=1S/C24H21N3O3S/c1-29-21-13-11-18(12-14-21)22-25-26-24(27(22)20-9-4-3-5-10-20)31-16-17-7-6-8-19(15-17)23(28)30-2/h3-15H,16H2,1-2H3
InChIKey SHKIUFUZNMXLAC-UHFFFAOYSA-N
Mol Weight 431.51 g/mol
Molecular Formula C24H21N3O3S
Exact Mass 431.130363 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F2FVPCiDBat
Name 3-[[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester
Alternate Name(s) Methyl 3-({[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate Methyl 3-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H21N3O3S
InChI InChI=1S/C24H21N3O3S/c1-29-21-13-11-18(12-14-21)22-25-26-24(27(22)20-9-4-3-5-10-20)31-16-17-7-6-8-19(15-17)23(28)30-2/h3-15H,16H2,1-2H3
InChIKey SHKIUFUZNMXLAC-UHFFFAOYSA-N
Molecular Weight 431.510 g/mol
SMILES c1ccc(-[n]2c(nnc2SCc2cc(C(=O)OC)ccc2)-c2ccc(cc2)OC)cc1
SPLASH splash10-02dm-9861100000-6c4543da32f3dfe5589d
Wiley ID 1462071