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Diethylmalonic acid, monochloride, nonyl ester

View entire compound with spectra: 1 FTIR

Diethylmalonic acid, monochloride, nonyl ester
SpectraBase Compound ID 5x9ECnP9J7w
InChI InChI=1S/C16H29ClO3/c1-4-7-8-9-10-11-12-13-20-15(19)16(5-2,6-3)14(17)18/h4-13H2,1-3H3
InChIKey JKSJCDXKBDRPRY-UHFFFAOYSA-N
Mol Weight 304.86 g/mol
Molecular Formula C16H29ClO3
Exact Mass 304.180522 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Dg0PydQFNGB
Name Diethylmalonic acid, monochloride, nonyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 304.180522491 u
Formula C16H29ClO3
InChI InChI=1S/C16H29ClO3/c1-4-7-8-9-10-11-12-13-20-15(19)16(5-2,6-3)14(17)18/h4-13H2,1-3H3
InChIKey JKSJCDXKBDRPRY-UHFFFAOYSA-N
Molecular Weight 304.858 g/mol
SMILES CCC(C(Cl)=O)(C(OCCCCCCCCC)=O)CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.907018