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

*Links on SpectraBase are not permalinks.

Isophthalic acid, ethyl 2-methylprop-2-en-1-yl ester

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

Isophthalic acid, ethyl 2-methylprop-2-en-1-yl ester
SpectraBase Compound ID 24ovRnTP8fk
InChI InChI=1S/C14H16O4/c1-4-17-13(15)11-6-5-7-12(8-11)14(16)18-9-10(2)3/h5-8H,2,4,9H2,1,3H3
InChIKey FXAHNIAERYRWNQ-UHFFFAOYSA-N
Mol Weight 248.28 g/mol
Molecular Formula C14H16O4
Exact Mass 248.104859 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 NdicPb9aEt
Name Isophthalic acid, ethyl 2-methylprop-2-en-1-yl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 248.104858991 u
Formula C14H16O4
InChI InChI=1S/C14H16O4/c1-4-17-13(15)11-6-5-7-12(8-11)14(16)18-9-10(2)3/h5-8H,2,4,9H2,1,3H3
InChIKey FXAHNIAERYRWNQ-UHFFFAOYSA-N
Molecular Weight 248.278 g/mol
SMILES C=C(C)COC(C1=CC(=CC=C1)C(OCC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.849294