For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Terephthalic acid, 2-chloroethyl pentyl ester

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

Terephthalic acid, 2-chloroethyl pentyl ester
SpectraBase Compound ID 4zkLN4DLQ7l
InChI InChI=1S/C15H19ClO4/c1-2-3-4-10-19-14(17)12-5-7-13(8-6-12)15(18)20-11-9-16/h5-8H,2-4,9-11H2,1H3
InChIKey ULTWIOVAZVLZIL-UHFFFAOYSA-N
Mol Weight 298.77 g/mol
Molecular Formula C15H19ClO4
Exact Mass 298.097187 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 83FD5qYW1tR
Name Terephthalic acid, 2-chloroethyl pentyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 298.097186788 u
Formula C15H19ClO4
InChI InChI=1S/C15H19ClO4/c1-2-3-4-10-19-14(17)12-5-7-13(8-6-12)15(18)20-11-9-16/h5-8H,2-4,9-11H2,1H3
InChIKey ULTWIOVAZVLZIL-UHFFFAOYSA-N
SMILES CCCCCOC(=O)C1=CC=C(C=C1)C(=O)OCCCl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.859909