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Dodecanoic acid, 8-chlorooctyl ester

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Dodecanoic acid, 8-chlorooctyl ester
SpectraBase Compound ID 3jk8zV1rCt2
InChI InChI=1S/C20H39ClO2/c1-2-3-4-5-6-7-8-11-14-17-20(22)23-19-16-13-10-9-12-15-18-21/h2-19H2,1H3
InChIKey BGYGFNNKYRPQBH-UHFFFAOYSA-N
Mol Weight 347.0 g/mol
Molecular Formula C20H39ClO2
Exact Mass 346.263858 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KgVeyadMbrr
Name Dodecanoic acid, 8-chlorooctyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 346.263858194 u
Formula C20H39ClO2
InChI InChI=1S/C20H39ClO2/c1-2-3-4-5-6-7-8-11-14-17-20(22)23-19-16-13-10-9-12-15-18-21/h2-19H2,1H3
InChIKey BGYGFNNKYRPQBH-UHFFFAOYSA-N
Molecular Weight 346.983 g/mol
SMILES C(Cl)CCCCCCCOC(CCCCCCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.83261