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3,5-Bistrifluoromethyl-benzonitrile

View entire compound with spectra: 4 NMR, 5 FTIR, 2 Raman, and 1 MS (GC)

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) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3jVS616ZXTV
Name 3,5-bis(trifluoromethyl)benzonitrile
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 233218
CAS Registry Number 27126-93-8
Copyright Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H3F6N
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
Observed nucleus 13C
Purity 97%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_003629