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1,3-Diacetoxy-4-perfluorohexylbenzene

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

1,3-Diacetoxy-4-perfluorohexylbenzene
SpectraBase Compound ID IEAvSnyCExu
InChI InChI=1S/C16H9F13O4/c1-6(30)32-8-3-4-9(10(5-8)33-7(2)31)11(17,18)12(19,20)13(21,22)14(23,24)15(25,26)16(27,28)29/h3-5H,1-2H3
InChIKey DFPMLQSAQPDMSQ-UHFFFAOYSA-N
Mol Weight 512.22 g/mol
Molecular Formula C16H9F13O4
Exact Mass 512.029325 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EzBsFkiSjv7
Name 1,3-Diacetoxy-4-perfluorohexylbenzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 512.029324885 u
Formula C16H9F13O4
InChI InChI=1S/C16H9F13O4/c1-6(30)32-8-3-4-9(10(5-8)33-7(2)31)11(17,18)12(19,20)13(21,22)14(23,24)15(25,26)16(27,28)29/h3-5H,1-2H3
InChIKey DFPMLQSAQPDMSQ-UHFFFAOYSA-N
Molecular Weight 512.223 g/mol
SMILES C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(C=1C(=CC(=CC1)OC(=O)C)OC(=O)C)(F)F)(F)F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.822864