Methyl 5-oxo-1-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrazole-3-carboxylate

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Systematic / IUPAC Name: Methyl 5-oxo-1-[3-(trifluoromethyl)phenyl]-4H-pyrazole-3-carboxylate

ID: Reference8725

Other Names: 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-[3-(trifluoromethyl)phenyl]-, methyl ester;
Methyl 5-oxo-1-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrazole-3-carboxylate

Formula: C12H9F3N2O3

Spectral Data

Methyl 5-oxo-1-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrazole-3-carboxylate 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 2
No. of Spectra 170
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/8/2019 12:24:32 PM
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Identificators

InChI InChI=1S/C12H9F3N2O3/c1-20-11(19)9-6-10(18)17(16-9)8-4-2-3-7(5-8)12(13,14)15/h2-5H,6H2,1H3
InChI Key PAGNGQGKXTWWBA-UHFFFAOYSA-N
Canonical SMILES COC(=O)C1=NN(C(=O)C1)C2=CC=CC(=C2)C(F)(F)F
CAS
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Other Names 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-[3-(trifluoromethyl)phenyl]-, methyl ester;
Methyl 5-oxo-1-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrazole-3-carboxylate

In Other Databases

ChemSpider 2079289
PubChem 2800564