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3-Cyclopentylpropionic acid, cyclohexyl ester

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

3-Cyclopentylpropionic acid, cyclohexyl ester
SpectraBase Compound ID 6g1ZIoTHzou
InChI InChI=1S/C14H24O2/c15-14(11-10-12-6-4-5-7-12)16-13-8-2-1-3-9-13/h12-13H,1-11H2
InChIKey BHVVMZUIQZOKGD-UHFFFAOYSA-N
Mol Weight 224.34 g/mol
Molecular Formula C14H24O2
Exact Mass 224.17763 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5p8EUImRpu1
Name 3-Cyclopentylpropionic acid, cyclohexyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 224.177630011 u
Formula C14H24O2
InChI InChI=1S/C14H24O2/c15-14(11-10-12-6-4-5-7-12)16-13-8-2-1-3-9-13/h12-13H,1-11H2
InChIKey BHVVMZUIQZOKGD-UHFFFAOYSA-N
Molecular Weight 224.344 g/mol
SMILES C1(CCCCC1)OC(CCC1CCCC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.943612