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OGOBINRVCUWLGN-UHFFFAOYSA-N

View entire compound with spectra: 16 NMR, 5 FTIR, 1 Raman, and 1 MS (GC)

OGOBINRVCUWLGN-UHFFFAOYSA-N
SpectraBase Compound ID GTklcrTVMtn
InChI InChI=1S/C8H4F3N/c9-8(10,11)7-3-1-2-6(4-7)5-12/h1-4H
InChIKey OGOBINRVCUWLGN-UHFFFAOYSA-N
Mol Weight 171.12 g/mol
Molecular Formula C8H4F3N
Exact Mass 171.029584 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6f734CWqNxv
Name 3-(Trifluoromethyl)benzonitrile
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 172901
CAS Registry Number 368-77-4
Copyright Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H4F3N
InChI 1S/C8H4F3N/c9-8(10,11)7-3-1-2-6(4-7)5-12/h1-4H
InChIKey OGOBINRVCUWLGN-UHFFFAOYSA-N
Observed nucleus 13C
Purity 99%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms alpha,alpha,alpha-Trifluoro-m-tolunitrile 3-Cyanobenzotrifluoride
Wiley ID SIAL_13CNMR_002107