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

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

Malonic acid, butyl 2,4-dimethylpent-3-yl ester
SpectraBase Compound ID 2MldejBRDQY
InChI InChI=1S/C14H26O4/c1-6-7-8-17-12(15)9-13(16)18-14(10(2)3)11(4)5/h10-11,14H,6-9H2,1-5H3
InChIKey JKYAHRAOWGZXLL-UHFFFAOYSA-N
Mol Weight 258.36 g/mol
Molecular Formula C14H26O4
Exact Mass 258.183109 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LEgHYhcp7Uo
Name Malonic acid, butyl 2,4-dimethylpent-3-yl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 258.183109313 u
Formula C14H26O4
InChI InChI=1S/C14H26O4/c1-6-7-8-17-12(15)9-13(16)18-14(10(2)3)11(4)5/h10-11,14H,6-9H2,1-5H3
InChIKey JKYAHRAOWGZXLL-UHFFFAOYSA-N
Molecular Weight 258.358 g/mol
SMILES C(C(OC(C(C)C)C(C)C)=O)C(OCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.85424