5-[4-(tert-Butyl)phenyl]-1-phenyl-1H-1,2,4-triazol-3-yl 4-chlorobenzenesulfonate

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Systematic / IUPAC Name: 5-[4-(2-Methyl-2-propanyl)phenyl]-1-phenyl-1H-1,2,4-triazol-3-yl 4-chlorobenzenesulfonate

ID: Reference7125

Other Names: Benzenesulfonic acid, 4-chloro-, 5-[4-(1,1-dimethylethyl)phenyl]-1-phenyl-1H-1,2,4-triazol-3-yl ester

Formula: C24H22ClN3O3S

Spectral Data

5-[4-(tert-Butyl)phenyl]-1-phenyl-1H-1,2,4-triazol-3-yl 4-chlorobenzenesulfonate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 12/4/2017 11:43:32 AM
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Identificators

InChI InChI=1S/C24H22ClN3O3S/c1-24(2,3)18-11-9-17(10-12-18)22-26-23(27-28(22)20-7-5-4-6-8-20)31-32(29,30)21-15-13-19(25)14-16-21/h4-16H,1-3H3
InChI Key MNAQTXWGPWWEGO-UHFFFAOYSA-N
Canonical SMILES CC(C)(C)C1=CC=C(C=C1)C2=NC(=NN2C3=CC=CC=C3)OS(=O)(=O)C4=CC=C(C=C4)Cl
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Other Names Benzenesulfonic acid, 4-chloro-, 5-[4-(1,1-dimethylethyl)phenyl]-1-phenyl-1H-1,2,4-triazol-3-yl ester

In Other Databases

PubChem 2737874
ChemSpider 2019504