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

*Links on SpectraBase are not permalinks.

Terephthalic acid, 2-chloroethyl isobutyl ester

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

Terephthalic acid, 2-chloroethyl isobutyl ester
SpectraBase Compound ID OXVRNniPJz
InChI InChI=1S/C14H17ClO4/c1-10(2)9-19-14(17)12-5-3-11(4-6-12)13(16)18-8-7-15/h3-6,10H,7-9H2,1-2H3
InChIKey RDVWHEJLWUJHRJ-UHFFFAOYSA-N
Mol Weight 284.74 g/mol
Molecular Formula C14H17ClO4
Exact Mass 284.081537 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 K1kgc37ot0f
Name Terephthalic acid, 2-chloroethyl isobutyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 284.081536723 u
Formula C14H17ClO4
InChI InChI=1S/C14H17ClO4/c1-10(2)9-19-14(17)12-5-3-11(4-6-12)13(16)18-8-7-15/h3-6,10H,7-9H2,1-2H3
InChIKey RDVWHEJLWUJHRJ-UHFFFAOYSA-N
SMILES C(COC(=O)C1=CC=C(C(OCC(C)C)=O)C=C1)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.929653