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4-Hydroxy-3-(trifluoromethyl)benzonitrile
SpectraBase Compound ID EYWgMU6FCem
InChI InChI=1S/C8H4F3NO/c9-8(10,11)6-3-5(4-12)1-2-7(6)13/h1-3,13H
InChIKey QXIFYONUKBXFTH-UHFFFAOYSA-N
Mol Weight 187.12 g/mol
Molecular Formula C8H4F3NO
Exact Mass 187.024498 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EDNHaOwckfH
Name 4-Hydroxy-3-(trifluoromethyl)benzonitrile
Appearance Pale yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H4F3NO
InChI InChI=1S/C8H4F3NO/c9-8(10,11)6-3-5(4-12)1-2-7(6)13/h1-3,13H
InChIKey QXIFYONUKBXFTH-UHFFFAOYSA-N
Instrument Name Agilent 7890A
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201801111
Molecular Weight 187.121 g/mol
SMILES Oc1c(cc(cc1)C#N)C(F)(F)F
SPLASH splash10-00kr-2900000000-f322419ed81d1ce55c41
Source of Spectrum U1-2019-689-major-2f
Thin-Layer Chromatography Rf = 0.41 (cyclohexane/EtOAc, 1:1)
Wiley ID 1843681