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3-Hydroxypyridine, heptafluorobutyrate

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

3-Hydroxypyridine, heptafluorobutyrate
SpectraBase Compound ID AvwlcYXLX2C
InChI InChI=1S/C9H4F7NO2/c10-7(11,8(12,13)9(14,15)16)6(18)19-5-2-1-3-17-4-5/h1-4H
InChIKey XDJQZXYPLKZVNL-UHFFFAOYSA-N
Mol Weight 291.12 g/mol
Molecular Formula C9H4F7NO2
Exact Mass 291.013026 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BN0yTVnWX0G
Name 3-Hydroxypyridine, heptafluorobutyrate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 291.013025512 u
Formula C9H4F7NO2
InChI InChI=1S/C9H4F7NO2/c10-7(11,8(12,13)9(14,15)16)6(18)19-5-2-1-3-17-4-5/h1-4H
InChIKey XDJQZXYPLKZVNL-UHFFFAOYSA-N
Molecular Weight 291.125 g/mol
SMILES C1(=CN=CC=C1)OC(=O)C(C(C(F)(F)F)(F)F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.859019