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Undecanedioic acid, 4-oxo-, dimethyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

Undecanedioic acid, 4-oxo-, dimethyl ester
SpectraBase Compound ID G4ZpN3ruCbd
InChI InChI=1S/C13H22O5/c1-17-12(15)8-6-4-3-5-7-11(14)9-10-13(16)18-2/h3-10H2,1-2H3
InChIKey YBSQJBOYCPAIFV-UHFFFAOYSA-N
Mol Weight 258.31 g/mol
Molecular Formula C13H22O5
Exact Mass 258.146724 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Aaz0wCAEHYA
Name Undecanedioic acid, 4-oxo-, dimethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 258.146723803 u
Formula C13H22O5
InChI InChI=1S/C13H22O5/c1-17-12(15)8-6-4-3-5-7-11(14)9-10-13(16)18-2/h3-10H2,1-2H3
InChIKey YBSQJBOYCPAIFV-UHFFFAOYSA-N
Molecular Weight 258.314 g/mol
SMILES C(=O)(OC)CCC(CCCCCCC(=O)OC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.990389