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Succinic acid, heptadecyl 3-methylbutyl ester

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Succinic acid, heptadecyl 3-methylbutyl ester
SpectraBase Compound ID C2ZbxOyHQRq
InChI InChI=1S/C26H50O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-29-25(27)19-20-26(28)30-23-21-24(2)3/h24H,4-23H2,1-3H3
InChIKey SKLQTFSYZAVCOF-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 9OI01rQB5dU
Name Succinic acid, heptadecyl 3-methylbutyl 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/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-29-25(27)19-20-26(28)30-23-21-24(2)3/h24H,4-23H2,1-3H3
InChIKey SKLQTFSYZAVCOF-UHFFFAOYSA-N
Molecular Weight 426.682 g/mol
SMILES C(C(OCCC(C)C)=O)CC(OCCCCCCCCCCCCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.843648