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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) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B80YnoH3i0i
Name 3-CYANOBENZOTRIFLUORID
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H4F3N
InChI InChI=1S/C8H4F3N/c9-8(10,11)7-3-1-2-6(4-7)5-12/h1-4H
InChIKey OGOBINRVCUWLGN-UHFFFAOYSA-N
Literature Reference Author R.A.NEWMARK,J.R.HILL
Literature Reference Citation ORG.MAGN.RES.,9,589(1977)
Literature Reference DOI 10.1002/mrc.1270091008
Molecular Weight 171.122 g/mol
Solvent C6D6
Source File Reference UNIW4429