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

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

Malonic acid, isobutyl 2-methylpent-3-yl ester
SpectraBase Compound ID EU95yDT1suN
InChI InChI=1S/C13H24O4/c1-6-11(10(4)5)17-13(15)7-12(14)16-8-9(2)3/h9-11H,6-8H2,1-5H3
InChIKey LRVPNPXTUVVIDQ-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 9iU9mI3Xts5
Name Malonic acid, isobutyl 2-methylpent-3-yl 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/c1-6-11(10(4)5)17-13(15)7-12(14)16-8-9(2)3/h9-11H,6-8H2,1-5H3
InChIKey LRVPNPXTUVVIDQ-UHFFFAOYSA-N
Molecular Weight 244.331 g/mol
SMILES C(C(OC(CC)C(C)C)=O)C(OCC(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.933514