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Glutaric acid, hex-4-yn-3-yl 2,2,3,4,4,4-hexafluorobutyl ester

View entire compound with spectra: 1 FTIR

Glutaric acid, hex-4-yn-3-yl 2,2,3,4,4,4-hexafluorobutyl ester
SpectraBase Compound ID BEdTkv4ylTJ
InChI InChI=1S/C15H18F6O4/c1-3-6-10(4-2)25-12(23)8-5-7-11(22)24-9-14(17,18)13(16)15(19,20)21/h10,13H,4-5,7-9H2,1-2H3
InChIKey CZDOPFKQQCJCDG-UHFFFAOYSA-N
Mol Weight 376.3 g/mol
Molecular Formula C15H18F6O4
Exact Mass 376.110928 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2KXZ9UmdOJl
Name Glutaric acid, hex-4-yn-3-yl 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 376.110928034 u
Formula C15H18F6O4
InChI InChI=1S/C15H18F6O4/c1-3-6-10(4-2)25-12(23)8-5-7-11(22)24-9-14(17,18)13(16)15(19,20)21/h10,13H,4-5,7-9H2,1-2H3
InChIKey CZDOPFKQQCJCDG-UHFFFAOYSA-N
Molecular Weight 376.295 g/mol
SMILES C(CCC(OC(CC)C#CC)=O)C(OCC(C(C(F)(F)F)F)(F)F)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.891652