Pyrazolynate

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Systematic / IUPAC Name: 4-(2,4-Dichlorobenzoyl)-1,3-dimethyl-1H-pyrazol-5-yl 4-methylbenzenesulfonate

ID: Reference2330

Other Names: 4-(2,4-Dichlorobenzoyl)-1,3-dimethyl-5-pyrazolyl p-toluenesulfonate;
Methanone, (2,4-dichlorophenyl)(1,3-dimethyl-5-{[(4-methylphenyl)sulfonyl]oxy}-1H-pyrazol-4-yl)-;
4-(2,4-Dichlorobenzoyl)-1,3-dimethylpyrazol-5-yl toluene-4-sulfonate

Formula: C19H16Cl2N2O4S

Class: Pesticides/Herbicides

Spectral Data

Pyrazolynate 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 Plus Orbitrap
No. of Spectral Trees 1
No. of Spectra 45
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/24/2015 3:07:42 PM
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Identificators

InChI InChI=1S/C19H16Cl2N2O4S/c1-11-4-7-14(8-5-11)28(25,26)27-19-17(12(2)22-23(19)3)18(24)15-9-6-13(20)10-16(15)21/h4-10H,1-3H3
InChI Key ASRAWSBMDXVNLX-UHFFFAOYSA-N
Canonical SMILES CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=NN2C)C)C(=O)C3=C(C=C(C=C3)Cl)Cl
CAS 58011680
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Other Names 4-(2,4-Dichlorobenzoyl)-1,3-dimethyl-5-pyrazolyl p-toluenesulfonate;
Methanone, (2,4-dichlorophenyl)(1,3-dimethyl-5-{[(4-methylphenyl)sulfonyl]oxy}-1H-pyrazol-4-yl)-;
4-(2,4-Dichlorobenzoyl)-1,3-dimethylpyrazol-5-yl toluene-4-sulfonate

In Other Databases

ChemSpider 38869
PubChem 42619
KEGG C11123
ChemIDPlus 058011680