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Terephthalic acid, 2,2-dichloroethyl pentyl ester

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

Terephthalic acid, 2,2-dichloroethyl pentyl ester
SpectraBase Compound ID JQOMyzQYUgB
InChI InChI=1S/C15H18Cl2O4/c1-2-3-4-9-20-14(18)11-5-7-12(8-6-11)15(19)21-10-13(16)17/h5-8,13H,2-4,9-10H2,1H3
InChIKey SVHGCUIONYMSPI-UHFFFAOYSA-N
Mol Weight 333.21 g/mol
Molecular Formula C15H18Cl2O4
Exact Mass 332.058214 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1pFXOSWIrFV
Name Terephthalic acid, 2,2-dichloroethyl pentyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 332.058214456 u
Formula C15H18Cl2O4
InChI InChI=1S/C15H18Cl2O4/c1-2-3-4-9-20-14(18)11-5-7-12(8-6-11)15(19)21-10-13(16)17/h5-8,13H,2-4,9-10H2,1H3
InChIKey SVHGCUIONYMSPI-UHFFFAOYSA-N
Molecular Weight 333.211 g/mol
SMILES C1=CC(=CC=C1C(OCCCCC)=O)C(OCC(Cl)Cl)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.885231