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

*Links on SpectraBase are not permalinks.

Isophthalic acid, ethyl 3-pentyl ester

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

Isophthalic acid, ethyl 3-pentyl ester
SpectraBase Compound ID 2wZYALnV0Z8
InChI InChI=1S/C15H20O4/c1-4-13(5-2)19-15(17)12-9-7-8-11(10-12)14(16)18-6-3/h7-10,13H,4-6H2,1-3H3
InChIKey IOCQLUYFOAPCNI-UHFFFAOYSA-N
Mol Weight 264.32 g/mol
Molecular Formula C15H20O4
Exact Mass 264.136159 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 LWERcFL877N
Name Isophthalic acid, ethyl 3-pentyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 264.136159120 u
Formula C15H20O4
InChI InChI=1S/C15H20O4/c1-4-13(5-2)19-15(17)12-9-7-8-11(10-12)14(16)18-6-3/h7-10,13H,4-6H2,1-3H3
InChIKey IOCQLUYFOAPCNI-UHFFFAOYSA-N
Molecular Weight 264.321 g/mol
SMILES C1(=CC(=CC=C1)C(OC(CC)CC)=O)C(OCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.909164