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Glutaric acid, ethyl 2,2,3,3,4,4,4-heptafluorobutyl ester

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Glutaric acid, ethyl 2,2,3,3,4,4,4-heptafluorobutyl ester
SpectraBase Compound ID KfbyRSn6t61
InChI InChI=1S/C11H13F7O4/c1-2-21-7(19)4-3-5-8(20)22-6-9(12,13)10(14,15)11(16,17)18/h2-6H2,1H3
InChIKey IHPJOTUIIGZDDR-UHFFFAOYSA-N
Mol Weight 342.21 g/mol
Molecular Formula C11H13F7O4
Exact Mass 342.070206 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KkGnKFK4A6f
Name Glutaric acid, ethyl 2,2,3,3,4,4,4-heptafluorobutyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 342.070206036 u
Formula C11H13F7O4
InChI InChI=1S/C11H13F7O4/c1-2-21-7(19)4-3-5-8(20)22-6-9(12,13)10(14,15)11(16,17)18/h2-6H2,1H3
InChIKey IHPJOTUIIGZDDR-UHFFFAOYSA-N
Molecular Weight 342.210 g/mol
SMILES C(OCC(C(C(F)(F)F)(F)F)(F)F)(=O)CCCC(OCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.957429