For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

1,4-Dioxan-2,5-diol, di(heptafluorobutyrate)

View entire compound with spectra: 1 FTIR

1,4-Dioxan-2,5-diol, di(heptafluorobutyrate)
SpectraBase Compound ID 8IYXPsUTjh6
InChI InChI=1S/C12H6F14O6/c13-7(14,9(17,18)11(21,22)23)5(27)31-3-1-29-4(2-30-3)32-6(28)8(15,16)10(19,20)12(24,25)26/h3-4H,1-2H2
InChIKey OJVKNCNENRHTKZ-UHFFFAOYSA-N
Mol Weight 512.15 g/mol
Molecular Formula C12H6F14O6
Exact Mass 511.994082 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID DTs9RyT7uTr
Name 1,4-Dioxan-2,5-diol, di(heptafluorobutyrate)
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 511.994082189 u
Formula C12H6F14O6
InChI InChI=1S/C12H6F14O6/c13-7(14,9(17,18)11(21,22)23)5(27)31-3-1-29-4(2-30-3)32-6(28)8(15,16)10(19,20)12(24,25)26/h3-4H,1-2H2
InChIKey OJVKNCNENRHTKZ-UHFFFAOYSA-N
Molecular Weight 512.152 g/mol
SMILES C1(COC(CO1)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)OC(=O)C(C(C(F)(F)F)(F)F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.803024