Isoxaflutole

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Systematic / IUPAC Name: (5-Cyclopropyl-1,2-oxazol-4-yl)[2-(methylsulfonyl)-4-(trifluoromethyl)phenyl]methanone

ID: Reference2834

Other Names: (5-Cyclopropyl-4-isoxazolyl)[2-(methylsulfonyl)-4-(trifluoromethyl)phenyl]methanone;
(5-Cyclopropylisoxazol-4-yl)[2-(methylsulfonyl)-4-(trifluoromethyl)phenyl]methanone;
5-Cyclopropyl-4-[2-(methylsulfonyl)-4-(trifluoromethyl)benzoyl]isoxazole;
Methanone, (5-cyclopropyl-4-isoxazolyl)[2-(methylsulfonyl)-4-(trifluoromethyl)phenyl]-

Formula: C15H12F3NO4S

Class: Pesticides/Herbicides Therapeutics/Prescription Drugs

Spectral Data

Isoxaflutole 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; Q Exactive Plus Orbitrap
No. of Spectral Trees 3
No. of Spectra 253
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 6/19/2015 8:47:04 AM
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Identificators

InChI InChI=1S/C15H12F3NO4S/c1-24(21,22)12-6-9(15(16,17)18)4-5-10(12)13(20)11-7-19-23-14(11)8-2-3-8/h4-8H,2-3H2,1H3
InChI Key OYIKARCXOQLFHF-UHFFFAOYSA-N
Canonical SMILES CS(=O)(=O)C1=C(C=CC(=C1)C(F)(F)F)C(=O)C2=C(ON=C2)C3CC3
CAS 141112290
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Other Names (5-Cyclopropyl-4-isoxazolyl)[2-(methylsulfonyl)-4-(trifluoromethyl)phenyl]methanone;
(5-Cyclopropylisoxazol-4-yl)[2-(methylsulfonyl)-4-(trifluoromethyl)phenyl]methanone;
5-Cyclopropyl-4-[2-(methylsulfonyl)-4-(trifluoromethyl)benzoyl]isoxazole;
Methanone, (5-cyclopropyl-4-isoxazolyl)[2-(methylsulfonyl)-4-(trifluoromethyl)phenyl]-

In Other Databases

PubChem 84098
Wikipedia Isoxaflutol (DE)
ChemSpider 75869
ChEMBL CHEMBL1887147
ChemIDPlus 141112290