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3-Cyclopentylpropionic acid, 2-phenylethyl ester

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

3-Cyclopentylpropionic acid, 2-phenylethyl ester
SpectraBase Compound ID 8Qv9BjRS4v9
InChI InChI=1S/C16H22O2/c17-16(11-10-14-8-4-5-9-14)18-13-12-15-6-2-1-3-7-15/h1-3,6-7,14H,4-5,8-13H2
InChIKey WBXCOQLSSKIHHU-UHFFFAOYSA-N
Mol Weight 246.35 g/mol
Molecular Formula C16H22O2
Exact Mass 246.16198 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 91atDurHfM8
Name 3-Cyclopentylpropionic acid, 2-phenylethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 246.161979946 u
Formula C16H22O2
InChI InChI=1S/C16H22O2/c17-16(11-10-14-8-4-5-9-14)18-13-12-15-6-2-1-3-7-15/h1-3,6-7,14H,4-5,8-13H2
InChIKey WBXCOQLSSKIHHU-UHFFFAOYSA-N
Molecular Weight 246.350 g/mol
SMILES C1=CC=CC=C1CCOC(CCC1CCCC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.955625