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Glutaric acid, 3-methylbut-2-yl 2,4,4-trimethylpentyl ester

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

Glutaric acid, 3-methylbut-2-yl 2,4,4-trimethylpentyl ester
SpectraBase Compound ID AKWCEjM8eho
InChI InChI=1S/C18H34O4/c1-13(2)15(4)22-17(20)10-8-9-16(19)21-12-14(3)11-18(5,6)7/h13-15H,8-12H2,1-7H3
InChIKey VAYQLFINHUZIBV-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 598Uzq0qnUr
Name Glutaric acid, 3-methylbut-2-yl 2,4,4-trimethylpentyl 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/c1-13(2)15(4)22-17(20)10-8-9-16(19)21-12-14(3)11-18(5,6)7/h13-15H,8-12H2,1-7H3
InChIKey VAYQLFINHUZIBV-UHFFFAOYSA-N
SMILES C(CCC(OC(C(C)C)C)=O)C(OCC(CC(C)(C)C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.984473