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3,5-Bis(trifluoromethyl)phenylacetonitrile

View entire compound with spectra: 2 NMR, 3 FTIR, and 1 Raman

3,5-Bis(trifluoromethyl)phenylacetonitrile
SpectraBase Compound ID JfRpV0uVC88
InChI InChI=1S/C10H5F6N/c11-9(12,13)7-3-6(1-2-17)4-8(5-7)10(14,15)16/h3-5H,1H2
InChIKey YXGWYBUKRTYHJM-UHFFFAOYSA-N
Mol Weight 253.15 g/mol
Molecular Formula C10H5F6N
Exact Mass 253.032618 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IGP28st4dQt
Name 3,5-Bis(trifluoromethyl)phenylacetonitrile
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 263427
CAS Registry Number 85068-32-2
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H5F6N
InChI InChI=1S/C10H5F6N/c11-9(12,13)7-3-6(1-2-17)4-8(5-7)10(14,15)16/h3-5H,1H2
InChIKey YXGWYBUKRTYHJM-UHFFFAOYSA-N
Observed nucleus 13C
Purity 98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_004727