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3-Cyclopentylpropionic acid, decyl ester

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

3-Cyclopentylpropionic acid, decyl ester
SpectraBase Compound ID IPl7oxgvIif
InChI InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-11-16-20-18(19)15-14-17-12-9-10-13-17/h17H,2-16H2,1H3
InChIKey VNQAHVRLXYNRKW-UHFFFAOYSA-N
Mol Weight 282.5 g/mol
Molecular Formula C18H34O2
Exact Mass 282.25588 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BJIlWNPH8xx
Name 3-Cyclopentylpropionic acid, decyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 282.255880333 u
Formula C18H34O2
InChI InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-11-16-20-18(19)15-14-17-12-9-10-13-17/h17H,2-16H2,1H3
InChIKey VNQAHVRLXYNRKW-UHFFFAOYSA-N
Molecular Weight 282.468 g/mol
SMILES C(=O)(OCCCCCCCCCC)CCC1CCCC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.88183