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3-Cyclopentylpropionic acid, 6-chlorohexyl ester

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

3-Cyclopentylpropionic acid, 6-chlorohexyl ester
SpectraBase Compound ID Ka5iaj7sQhk
InChI InChI=1S/C14H25ClO2/c15-11-5-1-2-6-12-17-14(16)10-9-13-7-3-4-8-13/h13H,1-12H2
InChIKey KJFXSTZAPPGJAU-UHFFFAOYSA-N
Mol Weight 260.8 g/mol
Molecular Formula C14H25ClO2
Exact Mass 260.154308 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1VrT0NgM2SR
Name 3-Cyclopentylpropionic acid, 6-chlorohexyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 260.154307743 u
Formula C14H25ClO2
InChI InChI=1S/C14H25ClO2/c15-11-5-1-2-6-12-17-14(16)10-9-13-7-3-4-8-13/h13H,1-12H2
InChIKey KJFXSTZAPPGJAU-UHFFFAOYSA-N
Molecular Weight 260.805 g/mol
SMILES C(CCC1CCCC1)(OCCCCCCCl)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.979105