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Malonic acid, 10-chlorodecyl propyl ester

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

Malonic acid, 10-chlorodecyl propyl ester
SpectraBase Compound ID IuGqR3hYTV6
InChI InChI=1S/C16H29ClO4/c1-2-12-20-15(18)14-16(19)21-13-10-8-6-4-3-5-7-9-11-17/h2-14H2,1H3
InChIKey COEZQPUULVJOAL-UHFFFAOYSA-N
Mol Weight 320.86 g/mol
Molecular Formula C16H29ClO4
Exact Mass 320.175437 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID pM1xbp2aUr
Name Malonic acid, 10-chlorodecyl propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 320.175437110 u
Formula C16H29ClO4
InChI InChI=1S/C16H29ClO4/c1-2-12-20-15(18)14-16(19)21-13-10-8-6-4-3-5-7-9-11-17/h2-14H2,1H3
InChIKey COEZQPUULVJOAL-UHFFFAOYSA-N
Molecular Weight 320.857 g/mol
SMILES C(C(OCCCCCCCCCCCl)=O)C(OCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.937664