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Succinic acid, 2-ethylhexyl 2-methyl-3-pentyl ester

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

Succinic acid, 2-ethylhexyl 2-methyl-3-pentyl ester
SpectraBase Compound ID 8ddRAld5NUK
InChI InChI=1S/C18H34O4/c1-6-9-10-15(7-2)13-21-17(19)11-12-18(20)22-16(8-3)14(4)5/h14-16H,6-13H2,1-5H3
InChIKey LLNCSQDIIPSGPU-UHFFFAOYSA-N
Mol Weight 314.5 g/mol
Molecular Formula C18H34O4
Exact Mass 314.24571 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4DQjOFbdlzB
Name Succinic acid, 2-ethylhexyl 2-methyl-3-pentyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 314.245709571 u
Formula C18H34O4
InChI InChI=1S/C18H34O4/c1-6-9-10-15(7-2)13-21-17(19)11-12-18(20)22-16(8-3)14(4)5/h14-16H,6-13H2,1-5H3
InChIKey LLNCSQDIIPSGPU-UHFFFAOYSA-N
SMILES CCC(COC(CCC(=O)OC(C(C)C)CC)=O)CCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.955224