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

*Links on SpectraBase are not permalinks.

Adipic acid, ethyl pent-4-en-2-yl ester

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

Adipic acid, ethyl pent-4-en-2-yl ester
SpectraBase Compound ID 71WUQmDabQV
InChI InChI=1S/C13H22O4/c1-4-8-11(3)17-13(15)10-7-6-9-12(14)16-5-2/h4,11H,1,5-10H2,2-3H3
InChIKey DKCALIPCOLFPSF-UHFFFAOYSA-N
Mol Weight 242.31 g/mol
Molecular Formula C13H22O4
Exact Mass 242.151809 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 AUrCrK4BzQq
Name Adipic acid, ethyl pent-4-en-2-yl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 242.151809184 u
Formula C13H22O4
InChI InChI=1S/C13H22O4/c1-4-8-11(3)17-13(15)10-7-6-9-12(14)16-5-2/h4,11H,1,5-10H2,2-3H3
InChIKey DKCALIPCOLFPSF-UHFFFAOYSA-N
Molecular Weight 242.315 g/mol
SMILES C(CCC(OC(C)CC=C)=O)CC(OCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.941894