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Malonic acid, 8-chlorooctyl ethyl ester

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

Malonic acid, 8-chlorooctyl ethyl ester
SpectraBase Compound ID L3K05rvJAOG
InChI InChI=1S/C13H23ClO4/c1-2-17-12(15)11-13(16)18-10-8-6-4-3-5-7-9-14/h2-11H2,1H3
InChIKey QVPHPCBYJIWUMA-UHFFFAOYSA-N
Mol Weight 278.78 g/mol
Molecular Formula C13H23ClO4
Exact Mass 278.128487 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AUUwo8ItmmB
Name Malonic acid, 8-chlorooctyl ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 278.128486917 u
Formula C13H23ClO4
InChI InChI=1S/C13H23ClO4/c1-2-17-12(15)11-13(16)18-10-8-6-4-3-5-7-9-14/h2-11H2,1H3
InChIKey QVPHPCBYJIWUMA-UHFFFAOYSA-N
Molecular Weight 278.776 g/mol
SMILES C(C(OCCCCCCCCCl)=O)C(OCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.893053