5-[3-(2-Chlorophenyl)-5-methyl-4-isoxazolyl]-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3,4-tetraazole

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Systematic / IUPAC Name: 5-[3-(2-Chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1-[3-(trifluoromethyl)phenyl]-1H-tetrazole

ID: Reference6418

Other Names: Isoxazole, 3-(2-chlorophenyl)-5-methyl-4-{1-[3-(trifluoromethyl)phenyl]-1H-tetrazol-5-yl}-

Formula: C18H11ClF3N5O

Spectral Data

5-[3-(2-Chlorophenyl)-5-methyl-4-isoxazolyl]-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3,4-tetraazole 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 117
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/2/2017 8:20:18 AM
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Identificators

InChI InChI=1S/C18H11ClF3N5O/c1-10-15(16(24-28-10)13-7-2-3-8-14(13)19)17-23-25-26-27(17)12-6-4-5-11(9-12)18(20,21)22/h2-9H,1H3
InChI Key IJWWPTXOOMMURO-UHFFFAOYSA-N
Canonical SMILES CC1=C(C(=NO1)C2=CC=CC=C2Cl)C3=NN=NN3C4=CC=CC(=C4)C(F)(F)F
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Other Names Isoxazole, 3-(2-chlorophenyl)-5-methyl-4-{1-[3-(trifluoromethyl)phenyl]-1H-tetrazol-5-yl}-

In Other Databases

PubChem 2731137
ChemSpider 2013044