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Malonic acid, 3,3-dimethylbut-2-yl isobutyl ester

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

Malonic acid, 3,3-dimethylbut-2-yl isobutyl ester
SpectraBase Compound ID 7ChT2E8TnO
InChI InChI=1S/C13H24O4/c1-9(2)8-16-11(14)7-12(15)17-10(3)13(4,5)6/h9-10H,7-8H2,1-6H3
InChIKey HVSCYIDCHWGOHX-UHFFFAOYSA-N
Mol Weight 244.33 g/mol
Molecular Formula C13H24O4
Exact Mass 244.167459 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8NvpHgRAE08
Name Malonic acid, 3,3-dimethylbut-2-yl isobutyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 244.167459249 u
Formula C13H24O4
InChI InChI=1S/C13H24O4/c1-9(2)8-16-11(14)7-12(15)17-10(3)13(4,5)6/h9-10H,7-8H2,1-6H3
InChIKey HVSCYIDCHWGOHX-UHFFFAOYSA-N
Molecular Weight 244.331 g/mol
SMILES C(CC(OC(C(C)(C)C)C)=O)(OCC(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.974797