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3-Hydroxybenzaldehyde, heptafluorobutyrate

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

3-Hydroxybenzaldehyde, heptafluorobutyrate
SpectraBase Compound ID KzC1pXMUm4a
InChI InChI=1S/C11H5F7O3/c12-9(13,10(14,15)11(16,17)18)8(20)21-7-3-1-2-6(4-7)5-19/h1-5H
InChIKey NDQYMZFRZHCERO-UHFFFAOYSA-N
Mol Weight 318.15 g/mol
Molecular Formula C11H5F7O3
Exact Mass 318.012691 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8aneKFjFOjN
Name 3-Hydroxybenzaldehyde, heptafluorobutyrate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 318.012691159 u
Formula C11H5F7O3
InChI InChI=1S/C11H5F7O3/c12-9(13,10(14,15)11(16,17)18)8(20)21-7-3-1-2-6(4-7)5-19/h1-5H
InChIKey NDQYMZFRZHCERO-UHFFFAOYSA-N
Molecular Weight 318.147 g/mol
SMILES C(=O)C1=CC(OC(=O)C(C(C(F)(F)F)(F)F)(F)F)=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.960482