2,6-Bis(2,2,2-trifluoroethoxy)-3-{[3-(trifluoromethyl)-2-pyridyl]thio}benzonitrile

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Systematic / IUPAC Name: 2,6-Bis(2,2,2-trifluoroethoxy)-3-{[3-(trifluoromethyl)-2-pyridinyl]sulfanyl}benzonitrile

ID: Reference3721

Other Names: Benzonitrile, 2,6-bis(2,2,2-trifluoroethoxy)-3-{[3-(trifluoromethyl)-2-pyridinyl]thio}-

Formula: C17H9F9N2O2S

Spectral Data

2,6-Bis(2,2,2-trifluoroethoxy)-3-{[3-(trifluoromethyl)-2-pyridyl]thio}benzonitrile mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

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 2/5/2016 10:08:59 AM
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Identificators

InChI InChI=1S/C17H9F9N2O2S/c18-15(19,20)7-29-11-3-4-12(13(9(11)6-27)30-8-16(21,22)23)31-14-10(17(24,25)26)2-1-5-28-14/h1-5H,7-8H2
InChI Key KLWJHRVBCHVBOY-UHFFFAOYSA-N
Canonical SMILES C1=CC(=C(N=C1)SC2=C(C(=C(C=C2)OCC(F)(F)F)C#N)OCC(F)(F)F)C(F)(F)F
CAS
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Other Names Benzonitrile, 2,6-bis(2,2,2-trifluoroethoxy)-3-{[3-(trifluoromethyl)-2-pyridinyl]thio}-

In Other Databases

ChemSpider 2102654
PubChem 2824467