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1,2-Diacetoxy-4-perfluoroethylbenzene

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

1,2-Diacetoxy-4-perfluoroethylbenzene
SpectraBase Compound ID IVQvBVd7dcn
InChI InChI=1S/C12H9F5O4/c1-6(18)20-9-4-3-8(5-10(9)21-7(2)19)11(13,14)12(15,16)17/h3-5H,1-2H3
InChIKey LZUSQOOKUKVKOL-UHFFFAOYSA-N
Mol Weight 312.19 g/mol
Molecular Formula C12H9F5O4
Exact Mass 312.0421 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LJqBBhTtgMB
Name 1,2-Diacetoxy-4-perfluoroethylbenzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 312.042099581 u
Formula C12H9F5O4
InChI InChI=1S/C12H9F5O4/c1-6(18)20-9-4-3-8(5-10(9)21-7(2)19)11(13,14)12(15,16)17/h3-5H,1-2H3
InChIKey LZUSQOOKUKVKOL-UHFFFAOYSA-N
Molecular Weight 312.192 g/mol
SMILES C(C(F)(F)F)(C=1C=C(OC(=O)C)C(=CC1)OC(=O)C)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.973563