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Malonic acid, 2-decyl pentadecyl ester

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

Malonic acid, 2-decyl pentadecyl ester
SpectraBase Compound ID AiPe4bUX11Z
InChI InChI=1S/C28H54O4/c1-4-6-8-10-12-13-14-15-16-17-18-20-22-24-31-27(29)25-28(30)32-26(3)23-21-19-11-9-7-5-2/h26H,4-25H2,1-3H3
InChIKey DYBQXAFXFQFFGD-UHFFFAOYSA-N
Mol Weight 454.7 g/mol
Molecular Formula C28H54O4
Exact Mass 454.40221 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4XtXCilHtRB
Name Malonic acid, 2-decyl pentadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 454.402210215 u
Formula C28H54O4
InChI InChI=1S/C28H54O4/c1-4-6-8-10-12-13-14-15-16-17-18-20-22-24-31-27(29)25-28(30)32-26(3)23-21-19-11-9-7-5-2/h26H,4-25H2,1-3H3
InChIKey DYBQXAFXFQFFGD-UHFFFAOYSA-N
Molecular Weight 454.736 g/mol
SMILES C(C(OC(CCCCCCCC)C)=O)C(OCCCCCCCCCCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.894419