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Succinic acid, di(3-oxobut-2-yl) ester

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

Succinic acid, di(3-oxobut-2-yl) ester
SpectraBase Compound ID AKKitns2WlW
InChI InChI=1S/C12H18O6/c1-7(13)9(3)17-11(15)5-6-12(16)18-10(4)8(2)14/h9-10H,5-6H2,1-4H3
InChIKey MJFIYODJICINQS-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 9YxROtHPiz1
Name Succinic acid, di(3-oxobut-2-yl) 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/c1-7(13)9(3)17-11(15)5-6-12(16)18-10(4)8(2)14/h9-10H,5-6H2,1-4H3
InChIKey MJFIYODJICINQS-UHFFFAOYSA-N
Molecular Weight 258.270 g/mol
SMILES C(CC(OC(C(C)=O)C)=O)C(OC(C)C(C)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.907167