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Glutaric acid, 3-methylbut-2-yl 2-ethylhexyl ester

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

Glutaric acid, 3-methylbut-2-yl 2-ethylhexyl ester
SpectraBase Compound ID ANdlAUG4zlq
InChI InChI=1S/C18H34O4/c1-6-8-10-16(7-2)13-21-17(19)11-9-12-18(20)22-15(5)14(3)4/h14-16H,6-13H2,1-5H3
InChIKey AUGGZPCAGPMBGL-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 DHN5UFyhjfp
Name Glutaric acid, 3-methylbut-2-yl 2-ethylhexyl 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/c1-6-8-10-16(7-2)13-21-17(19)11-9-12-18(20)22-15(5)14(3)4/h14-16H,6-13H2,1-5H3
InChIKey AUGGZPCAGPMBGL-UHFFFAOYSA-N
SMILES C(CCC(OC(C(C)C)C)=O)C(OCC(CC)CCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.918081