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Succinic acid, ethyl 3-fluorobenzyl ester

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

Succinic acid, ethyl 3-fluorobenzyl ester
SpectraBase Compound ID 7xCVOId8jSN
InChI InChI=1S/C13H15FO4/c1-2-17-12(15)6-7-13(16)18-9-10-4-3-5-11(14)8-10/h3-5,8H,2,6-7,9H2,1H3
InChIKey QOFLVPNCIZSIFJ-UHFFFAOYSA-N
Mol Weight 254.26 g/mol
Molecular Formula C13H15FO4
Exact Mass 254.095437 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LrYbaIEOqjC
Name Succinic acid, ethyl 3-fluorobenzyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 254.095437122 u
Formula C13H15FO4
InChI InChI=1S/C13H15FO4/c1-2-17-12(15)6-7-13(16)18-9-10-4-3-5-11(14)8-10/h3-5,8H,2,6-7,9H2,1H3
InChIKey QOFLVPNCIZSIFJ-UHFFFAOYSA-N
Molecular Weight 254.257 g/mol
SMILES C(CCC(OCC=1C=C(C=CC1)F)=O)(OCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.863713