6-Methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[5,1-c][1,2,4]triazole

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Systematic / IUPAC Name: 6-Methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[5,1-c][1,2,4]triazole

ID: Reference4202

Other Names: 1H-Pyrazolo[5,1-c]-1,2,4-triazole, 6-methyl-3-[4-(trifluoromethyl)phenyl]-

Formula: C12H9F3N4

Spectral Data

6-Methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[5,1-c][1,2,4]triazole 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 3/14/2016 2:25:18 PM
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Identificators

InChI InChI=1S/C12H9F3N4/c1-7-6-10-16-17-11(19(10)18-7)8-2-4-9(5-3-8)12(13,14)15/h2-6,16H,1H3
InChI Key CLRWSTXVSHNYQX-UHFFFAOYSA-N
Canonical SMILES Cc1cc2[nH]nc(n2n1)c3ccc(cc3)C(F)(F)F
CAS
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Other Names 1H-Pyrazolo[5,1-c]-1,2,4-triazole, 6-methyl-3-[4-(trifluoromethyl)phenyl]-

In Other Databases

ChemSpider 17925829