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3-Cyclopentylpropionic acid, 3-phenylpropyl ester

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

3-Cyclopentylpropionic acid, 3-phenylpropyl ester
SpectraBase Compound ID CBdKrbORvyG
InChI InChI=1S/C17H24O2/c18-17(13-12-16-9-4-5-10-16)19-14-6-11-15-7-2-1-3-8-15/h1-3,7-8,16H,4-6,9-14H2
InChIKey UYKWQBFGPYVAOQ-UHFFFAOYSA-N
Mol Weight 260.38 g/mol
Molecular Formula C17H24O2
Exact Mass 260.17763 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID eGluBClvd1
Name 3-Cyclopentylpropionic acid, 3-phenylpropyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 260.177630011 u
Formula C17H24O2
InChI InChI=1S/C17H24O2/c18-17(13-12-16-9-4-5-10-16)19-14-6-11-15-7-2-1-3-8-15/h1-3,7-8,16H,4-6,9-14H2
InChIKey UYKWQBFGPYVAOQ-UHFFFAOYSA-N
Molecular Weight 260.377 g/mol
SMILES C1(=CC=CC=C1)CCCOC(CCC1CCCC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.934969