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Terephthalic acid, 4-chloro-2-methylbenzyl propyl ester

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Terephthalic acid, 4-chloro-2-methylbenzyl propyl ester
SpectraBase Compound ID AumN7JGgkVz
InChI InChI=1S/C19H19ClO4/c1-3-10-23-18(21)14-4-6-15(7-5-14)19(22)24-12-16-8-9-17(20)11-13(16)2/h4-9,11H,3,10,12H2,1-2H3
InChIKey CEHGUHSDGWLERK-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 JrWmmz27Srh
Name Terephthalic acid, 4-chloro-2-methylbenzyl propyl 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/c1-3-10-23-18(21)14-4-6-15(7-5-14)19(22)24-12-16-8-9-17(20)11-13(16)2/h4-9,11H,3,10,12H2,1-2H3
InChIKey CEHGUHSDGWLERK-UHFFFAOYSA-N
Molecular Weight 346.810 g/mol
SMILES C1(=CC=C(C=C1)C(OCCC)=O)C(=O)OCC=1C=CC(=CC1C)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.93992