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Malonic acid, butyl 8-chlorooctyl ester

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Malonic acid, butyl 8-chlorooctyl ester
SpectraBase Compound ID GuRfjbIZglM
InChI InChI=1S/C15H27ClO4/c1-2-3-11-19-14(17)13-15(18)20-12-9-7-5-4-6-8-10-16/h2-13H2,1H3
InChIKey BPVJFODNWKIIMW-UHFFFAOYSA-N
Mol Weight 306.83 g/mol
Molecular Formula C15H27ClO4
Exact Mass 306.159787 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AmkSilSTdlF
Name Malonic acid, butyl 8-chlorooctyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 306.159787045 u
Formula C15H27ClO4
InChI InChI=1S/C15H27ClO4/c1-2-3-11-19-14(17)13-15(18)20-12-9-7-5-4-6-8-10-16/h2-13H2,1H3
InChIKey BPVJFODNWKIIMW-UHFFFAOYSA-N
Molecular Weight 306.830 g/mol
SMILES C(C(OCCCCCCCCCl)=O)C(OCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.931353