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Malonic acid, 10-chlorodecyl pentyl ester

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Malonic acid, 10-chlorodecyl pentyl ester
SpectraBase Compound ID 4oDA1H3kLQp
InChI InChI=1S/C18H33ClO4/c1-2-3-11-14-22-17(20)16-18(21)23-15-12-9-7-5-4-6-8-10-13-19/h2-16H2,1H3
InChIKey LIVKUMQJJABWOO-UHFFFAOYSA-N
Mol Weight 348.9 g/mol
Molecular Formula C18H33ClO4
Exact Mass 348.206737 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8Fnaw9C9ZmY
Name Malonic acid, 10-chlorodecyl pentyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 348.206737239 u
Formula C18H33ClO4
InChI InChI=1S/C18H33ClO4/c1-2-3-11-14-22-17(20)16-18(21)23-15-12-9-7-5-4-6-8-10-13-19/h2-16H2,1H3
InChIKey LIVKUMQJJABWOO-UHFFFAOYSA-N
Molecular Weight 348.911 g/mol
SMILES C(C(OCCCCCCCCCCCl)=O)C(OCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.945699