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4-Trifluoromethoxy-benzonitrile

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

4-Trifluoromethoxy-benzonitrile
SpectraBase Compound ID 1ZnKjGkNAtN
InChI InChI=1S/C8H4F3NO/c9-8(10,11)13-7-3-1-6(5-12)2-4-7/h1-4H
InChIKey XWHIXOMWXCHJPP-UHFFFAOYSA-N
Mol Weight 187.12 g/mol
Molecular Formula C8H4F3NO
Exact Mass 187.024498 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CQ6YyCtPv2N
Name 4-(Trifluoromethoxy)benzonitrile
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 339857
CAS Registry Number 332-25-2
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H4F3NO
InChI InChI=1S/C8H4F3NO/c9-8(10,11)13-7-3-1-6(5-12)2-4-7/h1-4H
InChIKey XWHIXOMWXCHJPP-UHFFFAOYSA-N
Observed nucleus 13C
Purity 98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_006980