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Decanedioic acid, 3,8-dioxo-, dimethyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

Decanedioic acid, 3,8-dioxo-, dimethyl ester
SpectraBase Compound ID 3LU9JJ6d28e
InChI InChI=1S/C12H18O6/c1-17-11(15)7-9(13)5-3-4-6-10(14)8-12(16)18-2/h3-8H2,1-2H3
InChIKey BVFKBKVCRSXUAA-UHFFFAOYSA-N
Mol Weight 258.27 g/mol
Molecular Formula C12H18O6
Exact Mass 258.110338 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JCCPEUmKXfW
Name Decanedioic acid, 3,8-dioxo-, dimethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 258.110338294 u
Formula C12H18O6
InChI InChI=1S/C12H18O6/c1-17-11(15)7-9(13)5-3-4-6-10(14)8-12(16)18-2/h3-8H2,1-2H3
InChIKey BVFKBKVCRSXUAA-UHFFFAOYSA-N
Molecular Weight 258.270 g/mol
SMILES C(C(CCCCC(CC(OC)=O)=O)=O)C(OC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.941093