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Terephthalic acid, 4-chloro-3-methylphenyl propyl ester

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

Terephthalic acid, 4-chloro-3-methylphenyl propyl ester
SpectraBase Compound ID 5vcqmCgbgo
InChI InChI=1S/C18H17ClO4/c1-3-10-22-17(20)13-4-6-14(7-5-13)18(21)23-15-8-9-16(19)12(2)11-15/h4-9,11H,3,10H2,1-2H3
InChIKey QPPRFEPOFDQIAT-UHFFFAOYSA-N
Mol Weight 332.78 g/mol
Molecular Formula C18H17ClO4
Exact Mass 332.081537 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BnNJ3re27L5
Name Terephthalic acid, 4-chloro-3-methylphenyl propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 332.081536723 u
Formula C18H17ClO4
InChI InChI=1S/C18H17ClO4/c1-3-10-22-17(20)13-4-6-14(7-5-13)18(21)23-15-8-9-16(19)12(2)11-15/h4-9,11H,3,10H2,1-2H3
InChIKey QPPRFEPOFDQIAT-UHFFFAOYSA-N
Molecular Weight 332.783 g/mol
SMILES C(C1=CC=C(C=C1)C(OCCC)=O)(OC1=CC=C(C(=C1)C)Cl)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.862151