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Terephthalic acid, 2-fluorophenethyl propyl ester

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

Terephthalic acid, 2-fluorophenethyl propyl ester
SpectraBase Compound ID Ao3sr9zEzAh
InChI InChI=1S/C19H19FO4/c1-2-12-23-18(21)15-7-9-16(10-8-15)19(22)24-13-11-14-5-3-4-6-17(14)20/h3-10H,2,11-13H2,1H3
InChIKey HAXKYXYKDABKCU-UHFFFAOYSA-N
Mol Weight 330.36 g/mol
Molecular Formula C19H19FO4
Exact Mass 330.126737 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BfKUXyMPT1K
Name Terephthalic acid, 2-fluorophenethyl propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 330.126737251 u
Formula C19H19FO4
InChI InChI=1S/C19H19FO4/c1-2-12-23-18(21)15-7-9-16(10-8-15)19(22)24-13-11-14-5-3-4-6-17(14)20/h3-10H,2,11-13H2,1H3
InChIKey HAXKYXYKDABKCU-UHFFFAOYSA-N
Molecular Weight 330.355 g/mol
SMILES C1(=CC=C(C=C1)C(OCCC)=O)C(=O)OCCC1=C(C=CC=C1)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.920206