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1,2-Cyclohexanedicarboxylic acid, cyclohexylmethyl propyl ester

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

1,2-Cyclohexanedicarboxylic acid, cyclohexylmethyl propyl ester
SpectraBase Compound ID 5pSj2trcsmj
InChI InChI=1S/C18H30O4/c1-2-12-21-17(19)15-10-6-7-11-16(15)18(20)22-13-14-8-4-3-5-9-14/h14-16H,2-13H2,1H3
InChIKey FODSRIAMLAYYEF-UHFFFAOYSA-N
Mol Weight 310.43 g/mol
Molecular Formula C18H30O4
Exact Mass 310.214409 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3qAXyaNe55T
Name 1,2-Cyclohexanedicarboxylic acid, cyclohexylmethyl propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 310.214409442 u
Formula C18H30O4
InChI InChI=1S/C18H30O4/c1-2-12-21-17(19)15-10-6-7-11-16(15)18(20)22-13-14-8-4-3-5-9-14/h14-16H,2-13H2,1H3
InChIKey FODSRIAMLAYYEF-UHFFFAOYSA-N
SMILES CCCOC(C1C(C(=O)OCC2CCCCC2)CCCC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.962387