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

*Links on SpectraBase are not permalinks.

1,3-Cyclohexanedipropanoic acid, 2-oxo-, ethyl ester

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

1,3-Cyclohexanedipropanoic acid, 2-oxo-, ethyl ester
SpectraBase Compound ID LXyQuflYNyz
InChI InChI=1S/C14H22O5/c1-2-19-13(17)9-7-11-5-3-4-10(14(11)18)6-8-12(15)16/h10-11H,2-9H2,1H3,(H,15,16)
InChIKey QKCFWEHBDFQBKF-UHFFFAOYSA-N
Mol Weight 270.32 g/mol
Molecular Formula C14H22O5
Exact Mass 270.146724 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 DsNHi2M8yNU
Name 1,3-Cyclohexanedipropanoic acid, 2-oxo-, ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 270.146723803 u
Formula C14H22O5
InChI InChI=1S/C14H22O5/c1-2-19-13(17)9-7-11-5-3-4-10(14(11)18)6-8-12(15)16/h10-11H,2-9H2,1H3,(H,15,16)
InChIKey QKCFWEHBDFQBKF-UHFFFAOYSA-N
SMILES C1(=O)C(CCC(=O)O)CCCC1CCC(=O)OCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.937623