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3,4-Dimethoxyphenol, heptafluorobutyrate

View entire compound with spectra: 1 FTIR

3,4-Dimethoxyphenol, heptafluorobutyrate
SpectraBase Compound ID 51C7vLoIHA
InChI InChI=1S/C12H9F7O4/c1-21-7-4-3-6(5-8(7)22-2)23-9(20)10(13,14)11(15,16)12(17,18)19/h3-5H,1-2H3
InChIKey ZALZDBSPLNKHNJ-UHFFFAOYSA-N
Mol Weight 350.19 g/mol
Molecular Formula C12H9F7O4
Exact Mass 350.038906 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Imb9iaF1DmZ
Name 3,4-Dimethoxyphenol, heptafluorobutyrate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 350.038905907 u
Formula C12H9F7O4
InChI InChI=1S/C12H9F7O4/c1-21-7-4-3-6(5-8(7)22-2)23-9(20)10(13,14)11(15,16)12(17,18)19/h3-5H,1-2H3
InChIKey ZALZDBSPLNKHNJ-UHFFFAOYSA-N
Molecular Weight 350.189 g/mol
SMILES C1=C(C(=CC=C1OC(=O)C(C(C(F)(F)F)(F)F)(F)F)OC)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.948281