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Malonic acid, 2-ethylbutyl pentyl ester

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

Malonic acid, 2-ethylbutyl pentyl ester
SpectraBase Compound ID 2h7v0oRBjII
InChI InChI=1S/C14H26O4/c1-4-7-8-9-17-13(15)10-14(16)18-11-12(5-2)6-3/h12H,4-11H2,1-3H3
InChIKey RSQAXPIBCULDMW-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 CuFVqmmTGVP
Name Malonic acid, 2-ethylbutyl pentyl 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/c1-4-7-8-9-17-13(15)10-14(16)18-11-12(5-2)6-3/h12H,4-11H2,1-3H3
InChIKey RSQAXPIBCULDMW-UHFFFAOYSA-N
Molecular Weight 258.358 g/mol
SMILES C(CC(OCC(CC)CC)=O)(OCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.958096