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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 AtOHXpCkBNP
Name 3-Trifluoromethyl-benzonitrile
CAS Registry Number 368-77-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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
Instrument Name Varian XL-100
Literature Reference R.A. Newmark, J.R. Hill, Org. Magn. Resonance 9, 589 (1977).
NMR Standard Benzene-D6
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent Neat liquid