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4-Nitrophenol, pentafluoropropionate

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

4-Nitrophenol, pentafluoropropionate
SpectraBase Compound ID HdcirmGL6ZT
InChI InChI=1S/C9H4F5NO4/c10-8(11,9(12,13)14)7(16)19-6-3-1-5(2-4-6)15(17)18/h1-4H
InChIKey GCQVWUOVGFEIGY-UHFFFAOYSA-N
Mol Weight 285.13 g/mol
Molecular Formula C9H4F5NO4
Exact Mass 285.006048 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KQUCE4X5LhD
Name 4-Nitrophenol, pentafluoropropionate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 285.006048424 u
Formula C9H4F5NO4
InChI InChI=1S/C9H4F5NO4/c10-8(11,9(12,13)14)7(16)19-6-3-1-5(2-4-6)15(17)18/h1-4H
InChIKey GCQVWUOVGFEIGY-UHFFFAOYSA-N
Molecular Weight 285.126 g/mol
SMILES C1=CC(=CC=C1OC(C(C(F)(F)F)(F)F)=O)N(=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.941449