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Cyclohexanecarboxylic acid, 8-chlorooctyl ester

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

Cyclohexanecarboxylic acid, 8-chlorooctyl ester
SpectraBase Compound ID JFVwYH04LrC
InChI InChI=1S/C15H27ClO2/c16-12-8-3-1-2-4-9-13-18-15(17)14-10-6-5-7-11-14/h14H,1-13H2
InChIKey TULIAZPVULJXOF-UHFFFAOYSA-N
Mol Weight 274.83 g/mol
Molecular Formula C15H27ClO2
Exact Mass 274.169958 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IsPh6ySAtx8
Name Cyclohexanecarboxylic acid, 8-chlorooctyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 274.169957807 u
Formula C15H27ClO2
InChI InChI=1S/C15H27ClO2/c16-12-8-3-1-2-4-9-13-18-15(17)14-10-6-5-7-11-14/h14H,1-13H2
InChIKey TULIAZPVULJXOF-UHFFFAOYSA-N
Molecular Weight 274.832 g/mol
SMILES C1CCCCC1C(=O)OCCCCCCCCCl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.965821