2-[(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-5-[3,5-bis(trifluoromethyl)phenyl]-1,3,4-oxadiazole

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Systematic / IUPAC Name: 2-[3,5-Bis(trifluoromethyl)phenyl]-5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-1,3,4-oxadiazole

ID: Reference4337

Other Names: 2-[(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-5-[3,5-bis(trifluoromethyl)phenyl]-1,3,4-oxadiazole

Formula: C16H11BrF6N4O

Spectral Data

2-[(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-5-[3,5-bis(trifluoromethyl)phenyl]-1,3,4-oxadiazole 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 236
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/22/2016 12:43:56 PM
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Identificators

InChI InChI=1S/C16H11BrF6N4O/c1-7-13(17)8(2)27(26-7)6-12-24-25-14(28-12)9-3-10(15(18,19)20)5-11(4-9)16(21,22)23/h3-5H,6H2,1-2H3
InChI Key JFEKAJFPZMLDHW-UHFFFAOYSA-N
Canonical SMILES CC1=C(C(=NN1CC2=NN=C(O2)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C)Br
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Other Names 2-[(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-5-[3,5-bis(trifluoromethyl)phenyl]-1,3,4-oxadiazole

In Other Databases

ChemSpider 2098534
PubChem 2820305