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Glutaric acid, 2-fluorophenyl isopropyl ester

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

Glutaric acid, 2-fluorophenyl isopropyl ester
SpectraBase Compound ID 54CsPINrZ0W
InChI InChI=1S/C14H17FO4/c1-10(2)18-13(16)8-5-9-14(17)19-12-7-4-3-6-11(12)15/h3-4,6-7,10H,5,8-9H2,1-2H3
InChIKey XPGGZVFBXMRMFH-UHFFFAOYSA-N
Mol Weight 268.28 g/mol
Molecular Formula C14H17FO4
Exact Mass 268.111087 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JpfFE54YPe8
Name Glutaric acid, 2-fluorophenyl isopropyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 268.111087186 u
Formula C14H17FO4
InChI InChI=1S/C14H17FO4/c1-10(2)18-13(16)8-5-9-14(17)19-12-7-4-3-6-11(12)15/h3-4,6-7,10H,5,8-9H2,1-2H3
InChIKey XPGGZVFBXMRMFH-UHFFFAOYSA-N
Molecular Weight 268.284 g/mol
SMILES C(CCC(OC1=CC=CC=C1F)=O)C(OC(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.840568