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Succinic acid, 2-(2-methoxyethyl)heptyl octyl ester

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

Succinic acid, 2-(2-methoxyethyl)heptyl octyl ester
SpectraBase Compound ID 35th5QpKqIo
InChI InChI=1S/C22H42O5/c1-4-6-8-9-10-12-17-26-21(23)14-15-22(24)27-19-20(16-18-25-3)13-11-7-5-2/h20H,4-19H2,1-3H3
InChIKey DKPYYCSRJCYRGO-UHFFFAOYSA-N
Mol Weight 386.6 g/mol
Molecular Formula C22H42O5
Exact Mass 386.303224 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 82YvEF8M5vW
Name Succinic acid, 2-(2-methoxyethyl)heptyl octyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 386.303224447 u
Formula C22H42O5
InChI InChI=1S/C22H42O5/c1-4-6-8-9-10-12-17-26-21(23)14-15-22(24)27-19-20(16-18-25-3)13-11-7-5-2/h20H,4-19H2,1-3H3
InChIKey DKPYYCSRJCYRGO-UHFFFAOYSA-N
Molecular Weight 386.573 g/mol
SMILES C(CC(OCC(CCOC)CCCCC)=O)C(OCCCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.826942