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6,9-Dioxooctadecanoic acid, ethyl ester

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

6,9-Dioxooctadecanoic acid, ethyl ester
SpectraBase Compound ID xuPTakhB6Y
InChI InChI=1S/C20H36O4/c1-3-5-6-7-8-9-10-13-18(21)16-17-19(22)14-11-12-15-20(23)24-4-2/h3-17H2,1-2H3
InChIKey ATLXNNUFHSLLJS-UHFFFAOYSA-N
Mol Weight 340.5 g/mol
Molecular Formula C20H36O4
Exact Mass 340.26136 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 7kbwzQevLX1
Name 6,9-Dioxooctadecanoic acid, ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 340.261359635 u
Formula C20H36O4
InChI InChI=1S/C20H36O4/c1-3-5-6-7-8-9-10-13-18(21)16-17-19(22)14-11-12-15-20(23)24-4-2/h3-17H2,1-2H3
InChIKey ATLXNNUFHSLLJS-UHFFFAOYSA-N
Molecular Weight 340.504 g/mol
SMILES CCCCCCCCCC(CCC(CCCCC(OCC)=O)=O)=O
Spectrum/Structure Validation Score (Raman) 0.951497