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Malonic acid, 2-decyl tridecyl ester
SpectraBase Compound ID Fcs5ApzuvIy
InChI InChI=1S/C26H50O4/c1-4-6-8-10-12-13-14-15-16-18-20-22-29-25(27)23-26(28)30-24(3)21-19-17-11-9-7-5-2/h24H,4-23H2,1-3H3
InChIKey ZLPCSDRXMVKEHG-UHFFFAOYSA-N
Mol Weight 426.7 g/mol
Molecular Formula C26H50O4
Exact Mass 426.37091 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1w99MK0C9lS
Name Malonic acid, 2-decyl tridecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 426.370910086 u
Formula C26H50O4
InChI InChI=1S/C26H50O4/c1-4-6-8-10-12-13-14-15-16-18-20-22-29-25(27)23-26(28)30-24(3)21-19-17-11-9-7-5-2/h24H,4-23H2,1-3H3
InChIKey ZLPCSDRXMVKEHG-UHFFFAOYSA-N
Molecular Weight 426.682 g/mol
SMILES C(C(OC(CCCCCCCC)C)=O)C(OCCCCCCCCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.908698