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

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

Glutaric acid, cyclohexylmethyl 3-methylbut-2-yl ester
SpectraBase Compound ID Fdh3ipzYTJg
InChI InChI=1S/C17H30O4/c1-13(2)14(3)21-17(19)11-7-10-16(18)20-12-15-8-5-4-6-9-15/h13-15H,4-12H2,1-3H3
InChIKey ZVEUVCRYWRLQOF-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 CSvpbdGgdK3
Name Glutaric acid, cyclohexylmethyl 3-methylbut-2-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/c1-13(2)14(3)21-17(19)11-7-10-16(18)20-12-15-8-5-4-6-9-15/h13-15H,4-12H2,1-3H3
InChIKey ZVEUVCRYWRLQOF-UHFFFAOYSA-N
SMILES C(CCC(OCC1CCCCC1)=O)C(OC(C(C)C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.846551