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4-(1-Chloro-2,2,2-trifluoroethoxy)benzonitrile

View entire compound with spectra: 1 MS (GC)

4-(1-Chloro-2,2,2-trifluoroethoxy)benzonitrile
SpectraBase Compound ID 4wRtEJ0brD3
InChI InChI=1S/C9H5ClF3NO/c10-8(9(11,12)13)15-7-3-1-6(5-14)2-4-7/h1-4,8H
InChIKey BPYYTNCOICXVDU-UHFFFAOYSA-N
Mol Weight 235.59 g/mol
Molecular Formula C9H5ClF3NO
Exact Mass 235.001176 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1eGMh66j9B
Name 4-(1-Chloro-2,2,2-trifluoroethoxy)benzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H5ClF3NO
InChI InChI=1S/C9H5ClF3NO/c10-8(9(11,12)13)15-7-3-1-6(5-14)2-4-7/h1-4,8H
InChIKey BPYYTNCOICXVDU-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol302962p
Molecular Weight 235.593 g/mol
SMILES c1(ccc(cc1)C#N)OC(C(F)(F)F)Cl
SPLASH splash10-0f79-2590000000-13271fa1bfae0aa41ba0
Source of Spectrum A1-14-6214/SMS7-2h
Wiley ID 1750871