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Glutaric acid, 2,2,3,3-tetrafluoropropyl neopentyl ester

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Glutaric acid, 2,2,3,3-tetrafluoropropyl neopentyl ester
SpectraBase Compound ID CKAPWJEaUGS
InChI InChI=1S/C13H20F4O4/c1-12(2,3)7-20-9(18)5-4-6-10(19)21-8-13(16,17)11(14)15/h11H,4-8H2,1-3H3
InChIKey DQKROZYCRYODBL-UHFFFAOYSA-N
Mol Weight 316.29 g/mol
Molecular Formula C13H20F4O4
Exact Mass 316.129772 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BdAAo3pugQo
Name Glutaric acid, 2,2,3,3-tetrafluoropropyl neopentyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 316.129771772 u
Formula C13H20F4O4
InChI InChI=1S/C13H20F4O4/c1-12(2,3)7-20-9(18)5-4-6-10(19)21-8-13(16,17)11(14)15/h11H,4-8H2,1-3H3
InChIKey DQKROZYCRYODBL-UHFFFAOYSA-N
Molecular Weight 316.293 g/mol
SMILES C(CCC(OCC(C(F)F)(F)F)=O)C(OCC(C)(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.941495