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Glutaric acid, 3-methylbut-2-en-1-yl 2,4-dimethylpent-3-yl ester

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

Glutaric acid, 3-methylbut-2-en-1-yl 2,4-dimethylpent-3-yl ester
SpectraBase Compound ID DW9pDansphn
InChI InChI=1S/C17H30O4/c1-12(2)10-11-20-15(18)8-7-9-16(19)21-17(13(3)4)14(5)6/h10,13-14,17H,7-9,11H2,1-6H3
InChIKey VUHSGQPPQFIUPZ-UHFFFAOYSA-N
Mol Weight 298.42 g/mol
Molecular Formula C17H30O4
Exact Mass 298.214409 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Fg6rX7c9eMF
Name Glutaric acid, 3-methylbut-2-en-1-yl 2,4-dimethylpent-3-yl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 298.214409442 u
Formula C17H30O4
InChI InChI=1S/C17H30O4/c1-12(2)10-11-20-15(18)8-7-9-16(19)21-17(13(3)4)14(5)6/h10,13-14,17H,7-9,11H2,1-6H3
InChIKey VUHSGQPPQFIUPZ-UHFFFAOYSA-N
SMILES C(CCC(OCC=C(C)C)=O)C(OC(C(C)C)C(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.960263