1-Methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid

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Systematic / IUPAC Name: 1-Methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid

ID: Reference6684

Other Names: 1H-Pyrazole-4-carboxylic acid, 1-methyl-3-(trifluoromethyl)-;
1-Methyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid;
1-Methyl-3-trifluoromethyl-1H-pyrazole-4-carboxylic acid;
Methyltrifluoromethylpyrazolecarboxylicacid

Formula: C6H5F3N2O2

Spectral Data

1-Methyl-3-(trifluoromethyl)-1H-pyrazole-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 Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 8/7/2017 12:16:39 PM
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Identificators

InChI InChI=1S/C6H5F3N2O2/c1-11-2-3(5(12)13)4(10-11)6(7,8)9/h2H,1H3,(H,12,13)
InChI Key FZNKJQNEJGXCJH-UHFFFAOYSA-N
Canonical SMILES CN1C=C(C(=N1)C(F)(F)F)C(=O)O
CAS 113100531
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Other Names 1H-Pyrazole-4-carboxylic acid, 1-methyl-3-(trifluoromethyl)-;
1-Methyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid;
1-Methyl-3-trifluoromethyl-1H-pyrazole-4-carboxylic acid;
Methyltrifluoromethylpyrazolecarboxylicacid

In Other Databases

ChemSpider 2055998
PubChem 2775665