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

*Links on SpectraBase are not permalinks.

1,2-Cyclohexanedicarboxylic acid, allyl propyl ester

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

1,2-Cyclohexanedicarboxylic acid, allyl propyl ester
SpectraBase Compound ID 63ZxWtSmnnk
InChI InChI=1S/C14H22O4/c1-3-9-17-13(15)11-7-5-6-8-12(11)14(16)18-10-4-2/h3,11-12H,1,4-10H2,2H3
InChIKey NRNACEABKBLQSA-UHFFFAOYSA-N
Mol Weight 254.33 g/mol
Molecular Formula C14H22O4
Exact Mass 254.151809 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 9LpgBYPZbFB
Name 1,2-Cyclohexanedicarboxylic acid, allyl propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 254.151809184 u
Formula C14H22O4
InChI InChI=1S/C14H22O4/c1-3-9-17-13(15)11-7-5-6-8-12(11)14(16)18-10-4-2/h3,11-12H,1,4-10H2,2H3
InChIKey NRNACEABKBLQSA-UHFFFAOYSA-N
Molecular Weight 254.326 g/mol
SMILES C1(CCCCC1C(OCCC)=O)C(=O)OCC=C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.850302