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Malonic acid, decyl 2-decyl ester

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

Malonic acid, decyl 2-decyl ester
SpectraBase Compound ID 6a8sDltbET2
InChI InChI=1S/C23H44O4/c1-4-6-8-10-12-13-15-17-19-26-22(24)20-23(25)27-21(3)18-16-14-11-9-7-5-2/h21H,4-20H2,1-3H3
InChIKey VKUBOIFDHKUXMH-UHFFFAOYSA-N
Mol Weight 384.6 g/mol
Molecular Formula C23H44O4
Exact Mass 384.32396 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5iKqgBLDDo9
Name Malonic acid, decyl 2-decyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 384.323959893 u
Formula C23H44O4
InChI InChI=1S/C23H44O4/c1-4-6-8-10-12-13-15-17-19-26-22(24)20-23(25)27-21(3)18-16-14-11-9-7-5-2/h21H,4-20H2,1-3H3
InChIKey VKUBOIFDHKUXMH-UHFFFAOYSA-N
Molecular Weight 384.601 g/mol
SMILES C(C(OC(CCCCCCCC)C)=O)C(OCCCCCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.962374