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

*Links on SpectraBase are not permalinks.

2-Cyclohexene-1-carboxylic acid, 2-ethyl-4-oxo-, ethyl ester

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

2-Cyclohexene-1-carboxylic acid, 2-ethyl-4-oxo-, ethyl ester
SpectraBase Compound ID CppF7pgWX5l
InChI InChI=1S/C11H16O3/c1-3-8-7-9(12)5-6-10(8)11(13)14-4-2/h7,10H,3-6H2,1-2H3
InChIKey FGGXQCSVGWPHMR-UHFFFAOYSA-N
Mol Weight 196.25 g/mol
Molecular Formula C11H16O3
Exact Mass 196.109944 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

Subscribe to view the full spectrum.

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

SpectraBase Spectrum ID ICRENDKb0qN
Name 2-Cyclohexene-1-carboxylic acid, 2-ethyl-4-oxo-, ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 196.109944372 u
Formula C11H16O3
InChI InChI=1S/C11H16O3/c1-3-8-7-9(12)5-6-10(8)11(13)14-4-2/h7,10H,3-6H2,1-2H3
InChIKey FGGXQCSVGWPHMR-UHFFFAOYSA-N
Molecular Weight 196.246 g/mol
SMILES C=1(C(C(=O)OCC)CCC(C1)=O)CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.931355