3-Difluoromethyl-1-methylpyrazole-4-carboxylic acid

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Systematic / IUPAC Name: 3-(Difluoromethyl)-1-methylpyrazole-4-carboxylic acid

ID: Reference13615

Other Names: 3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid;
AA-2543

Formula: C6H6F2N2O2

Class: Pesticides/Herbicides

Spectral Data

3-Difluoromethyl-1-methylpyrazole-4-carboxylic acid 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 2
No. of Spectra 783
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 10/24/2025 4:58:11 PM
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Identificators

InChI InChI=1S/C6H6F2N2O2/c1-10-2-3(6(11)12)4(9-10)5(7)8/h2,5H,1H3,(H,11,12)
InChI Key RLOHOBNEYHBZID-UHFFFAOYSA-N
Canonical SMILES Cn1cc(C(=O)O)c(C(F)F)n1
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Other Names 3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid;
AA-2543

In Other Databases

ChemSpider 14177094
PubChem 18983008