4-Chlorophenyl 2-methyl-2-{[5-(trifluoromethyl)-2-pyridyl]sulfonyl}propanoate

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Systematic / IUPAC Name: 4-Chlorophenyl 2-methyl-2-{[5-(trifluoromethyl)-2-pyridinyl]sulfonyl}propanoate

ID: Reference4608

Other Names: Propanoic acid, 2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-, 4-chlorophenyl ester

Formula: C16H13ClF3NO4S

Spectral Data

4-Chlorophenyl 2-methyl-2-{[5-(trifluoromethyl)-2-pyridyl]sulfonyl}propanoate 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 4/22/2016 10:10:53 AM
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Identificators

InChI InChI=1S/C16H13ClF3NO4S/c1-15(2,14(22)25-12-6-4-11(17)5-7-12)26(23,24)13-8-3-10(9-21-13)16(18,19)20/h3-9H,1-2H3
InChI Key MUGLQTFVCSMBIH-UHFFFAOYSA-N
Canonical SMILES CC(C)(C(=O)OC1=CC=C(C=C1)Cl)S(=O)(=O)C2=NC=C(C=C2)C(F)(F)F
CAS
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Other Names Propanoic acid, 2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-, 4-chlorophenyl ester

In Other Databases

PubChem 2801190
ChemSpider 2079903