Pyrasulfotole

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Systematic / IUPAC Name: 2,5-Dimethyl-4-[2-methylsulfonyl-4-(trifluoromethyl)benzoyl]-1H-pyrazol-3-one

ID: Reference13438

Other Names: AA-1909

Formula: C14H13F3N2O4S

Class: Pesticides/Herbicides

Spectral Data

Pyrasulfotole 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 Orbitrap ID-X with ETD_Cal Gateshead
No. of Spectral Trees 1
No. of Spectra 949
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 6/2/2025 9:22:19 AM
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Identificators

InChI InChI=1S/C14H13F3N2O4S/c1-7-11(13(21)19(2)18-7)12(20)9-5-4-8(14(15,16)17)6-10(9)24(3,22)23/h4-6,18H,1-3H3
InChI Key CZRVDACSCJKRFL-UHFFFAOYSA-N
Canonical SMILES CC1=C(C(=O)N(N1)C)C(=O)C2=C(C=C(C=C2)C(F)(F)F)S(=O)(=O)C
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Other Names AA-1909

In Other Databases

PubChem 11693711