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Cyclohexanecarboxylic acid, 4-octyl ester

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Cyclohexanecarboxylic acid, 4-octyl ester
SpectraBase Compound ID cr867ka9uz
InChI InChI=1S/C15H28O2/c1-3-5-12-14(9-4-2)17-15(16)13-10-7-6-8-11-13/h13-14H,3-12H2,1-2H3
InChIKey OUEBAHHMKFOAAU-UHFFFAOYSA-N
Mol Weight 240.39 g/mol
Molecular Formula C15H28O2
Exact Mass 240.20893 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Eh1jvyXzPYh
Name Cyclohexanecarboxylic acid, 4-octyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 240.208930140 u
Formula C15H28O2
InChI InChI=1S/C15H28O2/c1-3-5-12-14(9-4-2)17-15(16)13-10-7-6-8-11-13/h13-14H,3-12H2,1-2H3
InChIKey OUEBAHHMKFOAAU-UHFFFAOYSA-N
Molecular Weight 240.387 g/mol
SMILES CCCC(CCCC)OC(=O)C1CCCCC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.961304