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Terephthalic acid, 2-fluoroethyl propyl ester

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

Terephthalic acid, 2-fluoroethyl propyl ester
SpectraBase Compound ID Ir9GquyyE8h
InChI InChI=1S/C13H15FO4/c1-2-8-17-12(15)10-3-5-11(6-4-10)13(16)18-9-7-14/h3-6H,2,7-9H2,1H3
InChIKey PMBQHJMTQLMHKC-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 GU8fTjVLp2F
Name Terephthalic acid, 2-fluoroethyl propyl 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/c1-2-8-17-12(15)10-3-5-11(6-4-10)13(16)18-9-7-14/h3-6H,2,7-9H2,1H3
InChIKey PMBQHJMTQLMHKC-UHFFFAOYSA-N
Molecular Weight 254.257 g/mol
SMILES C1(=CC=C(C=C1)C(OCCC)=O)C(OCCF)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.94761