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Malonic acid, butyl 10-chlorodecyl ester

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Malonic acid, butyl 10-chlorodecyl ester
SpectraBase Compound ID 41dHZ1d4vEg
InChI InChI=1S/C17H31ClO4/c1-2-3-13-21-16(19)15-17(20)22-14-11-9-7-5-4-6-8-10-12-18/h2-15H2,1H3
InChIKey BKYAULOETAIPKU-UHFFFAOYSA-N
Mol Weight 334.88 g/mol
Molecular Formula C17H31ClO4
Exact Mass 334.191087 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2kucFqqX50b
Name Malonic acid, butyl 10-chlorodecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 334.191087174 u
Formula C17H31ClO4
InChI InChI=1S/C17H31ClO4/c1-2-3-13-21-16(19)15-17(20)22-14-11-9-7-5-4-6-8-10-12-18/h2-15H2,1H3
InChIKey BKYAULOETAIPKU-UHFFFAOYSA-N
Molecular Weight 334.884 g/mol
SMILES C(C(OCCCCCCCCCCCl)=O)C(OCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.953328