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4-(2,2,2-trifluoroethoxy)benzonitrile
SpectraBase Compound ID AuyxMa89zYZ
InChI InChI=1S/C9H6F3NO/c10-9(11,12)6-14-8-3-1-7(5-13)2-4-8/h1-4H,6H2
InChIKey ASHNFUJQYKNUCF-UHFFFAOYSA-N
Mol Weight 201.15 g/mol
Molecular Formula C9H6F3NO
Exact Mass 201.040148 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KN0N4MTcoNB
Name 4-(2,2,2-trifluoroethoxy)benzonitrile
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 201.040148305 u
Formula C9H6F3NO
InChI InChI=1S/C9H6F3NO/c10-9(11,12)6-14-8-3-1-7(5-13)2-4-8/h1-4H,6H2
InChIKey ASHNFUJQYKNUCF-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/chem.201704205
Molecular Weight 201.148 g/mol
Quality 424
SMILES C(OC1=CC=C(C=C1)C#N)C(F)(F)F
SPLASH splash10-0udi-5940000000-46d08575ac6bcb477983
Source of Spectrum QE-23-SM12-3e (DOI: 10.1002/chem.201704205)
Thin-Layer Chromatography 0.54 (hex/EtOAc, 4:1)
Wiley ID 1905981