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2-Nitrophenol, heptafluorobutyrate

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

2-Nitrophenol, heptafluorobutyrate
SpectraBase Compound ID 1oaloN4VCXu
InChI InChI=1S/C10H4F7NO4/c11-8(12,9(13,14)10(15,16)17)7(19)22-6-4-2-1-3-5(6)18(20)21/h1-4H
InChIKey APSHITSULXCKEA-UHFFFAOYSA-N
Mol Weight 335.13 g/mol
Molecular Formula C10H4F7NO4
Exact Mass 335.002855 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID H7x2E3CA3ui
Name 2-Nitrophenol, heptafluorobutyrate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 335.002854750 u
Formula C10H4F7NO4
InChI InChI=1S/C10H4F7NO4/c11-8(12,9(13,14)10(15,16)17)7(19)22-6-4-2-1-3-5(6)18(20)21/h1-4H
InChIKey APSHITSULXCKEA-UHFFFAOYSA-N
Molecular Weight 335.134 g/mol
SMILES C1(=CC=CC=C1OC(=O)C(C(C(F)(F)F)(F)F)(F)F)N(=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.967293