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Malonic acid, 8-chlorooctyl propyl ester

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Malonic acid, 8-chlorooctyl propyl ester
SpectraBase Compound ID LVg0jSw7m4G
InChI InChI=1S/C14H25ClO4/c1-2-10-18-13(16)12-14(17)19-11-8-6-4-3-5-7-9-15/h2-12H2,1H3
InChIKey CSXNAOIJZYGGFP-UHFFFAOYSA-N
Mol Weight 292.8 g/mol
Molecular Formula C14H25ClO4
Exact Mass 292.144137 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BHMU7LH9vSN
Name Malonic acid, 8-chlorooctyl propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 292.144136981 u
Formula C14H25ClO4
InChI InChI=1S/C14H25ClO4/c1-2-10-18-13(16)12-14(17)19-11-8-6-4-3-5-7-9-15/h2-12H2,1H3
InChIKey CSXNAOIJZYGGFP-UHFFFAOYSA-N
Molecular Weight 292.803 g/mol
SMILES C(C(OCCCCCCCCCl)=O)C(OCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.899679