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Malonic acid, monohexadecyl ester

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 Raman

Malonic acid, monohexadecyl ester
SpectraBase Compound ID A5I9orCtsxv
InChI InChI=1S/C19H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-19(22)17-18(20)21/h2-17H2,1H3,(H,20,21)
InChIKey VKLSLWCRDBMTKB-UHFFFAOYSA-N
Mol Weight 328.5 g/mol
Molecular Formula C19H36O4
Exact Mass 328.26136 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 7c7y516jGpj
Name Malonic acid, monohexadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 328.261359635 u
Formula C19H36O4
InChI InChI=1S/C19H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-19(22)17-18(20)21/h2-17H2,1H3,(H,20,21)
InChIKey VKLSLWCRDBMTKB-UHFFFAOYSA-N
Molecular Weight 328.493 g/mol
SMILES OC(CC(OCCCCCCCCCCCCCCCC)=O)=O
Spectrum/Structure Validation Score (Raman) 0.979163