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Glutaric acid, di(2,2,3,4,4,4-hexafluorobutyl) ester

View entire compound with spectra: 1 FTIR

Glutaric acid, di(2,2,3,4,4,4-hexafluorobutyl) ester
SpectraBase Compound ID 47gEwd3cgNq
InChI InChI=1S/C13H12F12O4/c14-8(12(20,21)22)10(16,17)4-28-6(26)2-1-3-7(27)29-5-11(18,19)9(15)13(23,24)25/h8-9H,1-5H2
InChIKey BSLAHWPDAIQDEQ-UHFFFAOYSA-N
Mol Weight 460.22 g/mol
Molecular Formula C13H12F12O4
Exact Mass 460.054397 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3G39KLCOYoL
Name Glutaric acid, di(2,2,3,4,4,4-hexafluorobutyl) ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 460.054396818 u
Formula C13H12F12O4
InChI InChI=1S/C13H12F12O4/c14-8(12(20,21)22)10(16,17)4-28-6(26)2-1-3-7(27)29-5-11(18,19)9(15)13(23,24)25/h8-9H,1-5H2
InChIKey BSLAHWPDAIQDEQ-UHFFFAOYSA-N
Molecular Weight 460.216 g/mol
SMILES C(CCC(OCC(C(C(F)(F)F)F)(F)F)=O)C(OCC(C(C(F)(F)F)F)(F)F)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.82741