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2-Chloro-1,1,2-trifluoroethyl p-nitrophenyl ether

View entire compound with spectra: 3 NMR, 1 FTIR, and 1 Raman

2-Chloro-1,1,2-trifluoroethyl p-nitrophenyl ether
SpectraBase Compound ID 4OPWPmk5zkP
InChI InChI=1S/C8H5ClF3NO3/c9-7(10)8(11,12)16-6-3-1-5(2-4-6)13(14)15/h1-4,7H
InChIKey SPBBECFWSJDTDU-UHFFFAOYSA-N
Mol Weight 255.58 g/mol
Molecular Formula C8H5ClF3NO3
Exact Mass 254.991005 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID AV4Jbrs5dce
Name 2-Chloro-1,1,2-trifluoroethyl p-nitrophenyl ether
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 254.991005211 u
Formula C8H5ClF3NO3
InChI InChI=1S/C8H5ClF3NO3/c9-7(10)8(11,12)16-6-3-1-5(2-4-6)13(14)15/h1-4,7H
InChIKey SPBBECFWSJDTDU-UHFFFAOYSA-N
Molecular Weight 255.580 g/mol
SMILES N(=O)(=O)C1=CC=C(C=C1)OC(C(F)Cl)(F)F
Spectrum/Structure Validation Score (Raman) 0.970615