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Terephthalic acid, 3-chlorophenyl pentyl ester

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

Terephthalic acid, 3-chlorophenyl pentyl ester
SpectraBase Compound ID GQcE9rCPT6H
InChI InChI=1S/C19H19ClO4/c1-2-3-4-12-23-18(21)14-8-10-15(11-9-14)19(22)24-17-7-5-6-16(20)13-17/h5-11,13H,2-4,12H2,1H3
InChIKey AXENEGRPAHEPSW-UHFFFAOYSA-N
Mol Weight 346.81 g/mol
Molecular Formula C19H19ClO4
Exact Mass 346.097187 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KHDUuEMlBJv
Name Terephthalic acid, 3-chlorophenyl pentyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 346.097186788 u
Formula C19H19ClO4
InChI InChI=1S/C19H19ClO4/c1-2-3-4-12-23-18(21)14-8-10-15(11-9-14)19(22)24-17-7-5-6-16(20)13-17/h5-11,13H,2-4,12H2,1H3
InChIKey AXENEGRPAHEPSW-UHFFFAOYSA-N
Molecular Weight 346.810 g/mol
SMILES CCCCCOC(C1=CC=C(C=C1)C(OC=1C=CC=C(C1)Cl)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.871103