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Malonic acid, eicosyl isobutyl ester

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

Malonic acid, eicosyl isobutyl ester
SpectraBase Compound ID 4TZedMEn6nE
InChI InChI=1S/C27H52O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-30-26(28)23-27(29)31-24-25(2)3/h25H,4-24H2,1-3H3
InChIKey REMBMSPIJHIAPO-UHFFFAOYSA-N
Mol Weight 440.7 g/mol
Molecular Formula C27H52O4
Exact Mass 440.38656 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3HG2eF9ahKQ
Name Malonic acid, eicosyl isobutyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 440.386560150 u
Formula C27H52O4
InChI InChI=1S/C27H52O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-30-26(28)23-27(29)31-24-25(2)3/h25H,4-24H2,1-3H3
InChIKey REMBMSPIJHIAPO-UHFFFAOYSA-N
Molecular Weight 440.709 g/mol
SMILES C(OCC(C)C)(CC(OCCCCCCCCCCCCCCCCCCCC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.867298