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3-Cyclopentylpropionic acid, benzyl ester

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3-Cyclopentylpropionic acid, benzyl ester
SpectraBase Compound ID dwXSkCbLvt
InChI InChI=1S/C15H20O2/c16-15(11-10-13-6-4-5-7-13)17-12-14-8-2-1-3-9-14/h1-3,8-9,13H,4-7,10-12H2
InChIKey AUAIXUMALDYTOR-UHFFFAOYSA-N
Mol Weight 232.32 g/mol
Molecular Formula C15H20O2
Exact Mass 232.14633 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FBjeJjjbxAK
Name 3-Cyclopentylpropionic acid, benzyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 232.146329882 u
Formula C15H20O2
InChI InChI=1S/C15H20O2/c16-15(11-10-13-6-4-5-7-13)17-12-14-8-2-1-3-9-14/h1-3,8-9,13H,4-7,10-12H2
InChIKey AUAIXUMALDYTOR-UHFFFAOYSA-N
Molecular Weight 232.323 g/mol
SMILES C1(=CC=CC=C1)COC(CCC1CCCC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.910133