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3-Cyclopentylpropionic acid, 2-tetrahydrofurylmethyl ester

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

3-Cyclopentylpropionic acid, 2-tetrahydrofurylmethyl ester
SpectraBase Compound ID 6hKCLiLomg2
InChI InChI=1S/C13H22O3/c14-13(8-7-11-4-1-2-5-11)16-10-12-6-3-9-15-12/h11-12H,1-10H2
InChIKey AIDBFKYEYPGEES-UHFFFAOYSA-N
Mol Weight 226.32 g/mol
Molecular Formula C13H22O3
Exact Mass 226.156895 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID NOsXblQ0rl
Name 3-Cyclopentylpropionic acid, 2-tetrahydrofurylmethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 226.156894565 u
Formula C13H22O3
InChI InChI=1S/C13H22O3/c14-13(8-7-11-4-1-2-5-11)16-10-12-6-3-9-15-12/h11-12H,1-10H2
InChIKey AIDBFKYEYPGEES-UHFFFAOYSA-N
Molecular Weight 226.316 g/mol
SMILES C1(OCCC1)COC(CCC1CCCC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.939439