2-Phenyl-5-(trifluoromethyl)-2,3-dihydro-1H-pyrazol-3-one

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Systematic / IUPAC Name: 2-Phenyl-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one

ID: Reference4072

Other Names: 3H-Pyrazol-3-one, 1,2-dihydro-2-phenyl-5-(trifluoromethyl)-

Formula: C10H7F3N2O

Spectral Data

2-Phenyl-5-(trifluoromethyl)-2,3-dihydro-1H-pyrazol-3-one 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 234
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/7/2016 8:19:44 AM
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Identificators

InChI InChI=1S/C10H7F3N2O/c11-10(12,13)8-6-9(16)15(14-8)7-4-2-1-3-5-7/h1-6,14H
InChI Key PSQCMVQGPMFFCX-UHFFFAOYSA-N
Canonical SMILES C1=CC=C(C=C1)N2C(=O)C=C(N2)C(F)(F)F
CAS
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Other Names 3H-Pyrazol-3-one, 1,2-dihydro-2-phenyl-5-(trifluoromethyl)-

In Other Databases

PubChem 892717
ChemSpider 780528