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Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl but-3-en-1-yl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl but-3-en-1-yl ester
SpectraBase Compound ID 2CAZxN4lAO5
InChI InChI=1S/C14H16F8O4/c1-2-3-7-25-9(23)5-4-6-10(24)26-8-12(17,18)14(21,22)13(19,20)11(15)16/h2,11H,1,3-8H2
InChIKey ZRBAXQGZHMOYKE-UHFFFAOYSA-N
Mol Weight 400.27 g/mol
Molecular Formula C14H16F8O4
Exact Mass 400.092084 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID L5MVUD0V93q
Name Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl but-3-en-1-yl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 400.092084295 u
Formula C14H16F8O4
InChI InChI=1S/C14H16F8O4/c1-2-3-7-25-9(23)5-4-6-10(24)26-8-12(17,18)14(21,22)13(19,20)11(15)16/h2,11H,1,3-8H2
InChIKey ZRBAXQGZHMOYKE-UHFFFAOYSA-N
Molecular Weight 400.265 g/mol
SMILES C(CCC(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O)C(OCCC=C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.939959