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1,4-Dioxane-2,3-diol, bis(chlorodifluoroacetate)

View entire compound with spectra: 1 FTIR

1,4-Dioxane-2,3-diol, bis(chlorodifluoroacetate)
SpectraBase Compound ID La42jQxk03B
InChI InChI=1S/C8H6Cl2F4O6/c9-7(11,12)5(15)19-3-4(18-2-1-17-3)20-6(16)8(10,13)14/h3-4H,1-2H2
InChIKey OTKVBLJKNZUMKM-UHFFFAOYSA-N
Mol Weight 345.03 g/mol
Molecular Formula C8H6Cl2F4O6
Exact Mass 343.947756 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5hpD4S6TfVc
Name 1,4-Dioxane-2,3-diol, bis(chlorodifluoroacetate)
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 343.947755959 u
Formula C8H6Cl2F4O6
InChI InChI=1S/C8H6Cl2F4O6/c9-7(11,12)5(15)19-3-4(18-2-1-17-3)20-6(16)8(10,13)14/h3-4H,1-2H2
InChIKey OTKVBLJKNZUMKM-UHFFFAOYSA-N
Molecular Weight 345.030 g/mol
SMILES C1(C(OCCO1)OC(C(F)(F)Cl)=O)OC(C(F)(F)Cl)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.835346