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Terephthalic acid, isobutyl 2-fluorophenethyl ester
SpectraBase Compound ID 5XiD5emAh1W
InChI InChI=1S/C20H21FO4/c1-14(2)13-25-20(23)17-9-7-16(8-10-17)19(22)24-12-11-15-5-3-4-6-18(15)21/h3-10,14H,11-13H2,1-2H3
InChIKey GJFZYHRYUGGCHI-UHFFFAOYSA-N
Mol Weight 344.38 g/mol
Molecular Formula C20H21FO4
Exact Mass 344.142387 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID J2qCcXn7h4G
Name Terephthalic acid, isobutyl 2-fluorophenethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 344.142387315 u
Formula C20H21FO4
InChI InChI=1S/C20H21FO4/c1-14(2)13-25-20(23)17-9-7-16(8-10-17)19(22)24-12-11-15-5-3-4-6-18(15)21/h3-10,14H,11-13H2,1-2H3
InChIKey GJFZYHRYUGGCHI-UHFFFAOYSA-N
Molecular Weight 344.382 g/mol
SMILES C1(=CC=C(C=C1)C(OCC(C)C)=O)C(=O)OCCC1=C(C=CC=C1)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.918539