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Cyclohexanecarboxylic acid, 6-chlorohexyl ester

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

Cyclohexanecarboxylic acid, 6-chlorohexyl ester
SpectraBase Compound ID 2Rhbsq2rAea
InChI InChI=1S/C13H23ClO2/c14-10-6-1-2-7-11-16-13(15)12-8-4-3-5-9-12/h12H,1-11H2
InChIKey SUVNKTCZTQBUFP-UHFFFAOYSA-N
Mol Weight 246.78 g/mol
Molecular Formula C13H23ClO2
Exact Mass 246.138658 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID J9NL3PZEAzI
Name Cyclohexanecarboxylic acid, 6-chlorohexyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 246.138657679 u
Formula C13H23ClO2
InChI InChI=1S/C13H23ClO2/c14-10-6-1-2-7-11-16-13(15)12-8-4-3-5-9-12/h12H,1-11H2
InChIKey SUVNKTCZTQBUFP-UHFFFAOYSA-N
Molecular Weight 246.778 g/mol
SMILES C1C(CCCC1)C(=O)OCCCCCCCl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.9362