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Glutaric acid, 3-methylbut-2-en-1-yl 2-fluoroethyl ester

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

Glutaric acid, 3-methylbut-2-en-1-yl 2-fluoroethyl ester
SpectraBase Compound ID 25DSQ0PQxDj
InChI InChI=1S/C12H19FO4/c1-10(2)6-8-16-11(14)4-3-5-12(15)17-9-7-13/h6H,3-5,7-9H2,1-2H3
InChIKey MFKRYSSUOZZWSN-UHFFFAOYSA-N
Mol Weight 246.28 g/mol
Molecular Formula C12H19FO4
Exact Mass 246.126737 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8fDBm6Hq5MU
Name Glutaric acid, 3-methylbut-2-en-1-yl 2-fluoroethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 246.126737251 u
Formula C12H19FO4
InChI InChI=1S/C12H19FO4/c1-10(2)6-8-16-11(14)4-3-5-12(15)17-9-7-13/h6H,3-5,7-9H2,1-2H3
InChIKey MFKRYSSUOZZWSN-UHFFFAOYSA-N
Molecular Weight 246.278 g/mol
SMILES C(CCC(OCC=C(C)C)=O)C(OCCF)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.90202