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3,5-Bistrifluoromethyl-benzonitrile

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3,5-Bistrifluoromethyl-benzonitrile
SpectraBase Compound ID F9MdsrfWyxG
InChI InChI=1S/C9H3F6N/c10-8(11,12)6-1-5(4-16)2-7(3-6)9(13,14)15/h1-3H
InChIKey CZKHHAOIHXHOSR-UHFFFAOYSA-N
Mol Weight 239.12 g/mol
Molecular Formula C9H3F6N
Exact Mass 239.016968 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ukgLsY9lJA
Name 3,5-BIS(TRIFLUOROMETHYL)BENZONITRILE
Source of Sample Pfaltz & Bauer, Inc., Waterbury, Connecticut
Boiling Point 74C/10mm
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H3F6N
InChI InChI=1S/C9H3F6N/c10-8(11,12)6-1-5(4-16)2-7(3-6)9(13,14)15/h1-3H
InChIKey CZKHHAOIHXHOSR-UHFFFAOYSA-N
Molecular Weight 239.12
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian HA-100/Digilab FT-NMR-3
Synonyms BENZONITRILE, 3,5-BIS/TRIFLUOROMETHYL/-,