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Malonic acid, 2,4-dimethylpent-3-yl propyl ester

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

Malonic acid, 2,4-dimethylpent-3-yl propyl ester
SpectraBase Compound ID 4CwdjdBx8aV
InChI InChI=1S/C13H24O4/c1-6-7-16-11(14)8-12(15)17-13(9(2)3)10(4)5/h9-10,13H,6-8H2,1-5H3
InChIKey XYGLQRLIVIQKAJ-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 EpOVfyuBhRA
Name Malonic acid, 2,4-dimethylpent-3-yl propyl 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/c1-6-7-16-11(14)8-12(15)17-13(9(2)3)10(4)5/h9-10,13H,6-8H2,1-5H3
InChIKey XYGLQRLIVIQKAJ-UHFFFAOYSA-N
Molecular Weight 244.331 g/mol
SMILES C(C(OC(C(C)C)C(C)C)=O)C(OCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.962662