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Glutaric acid, 1-(tert-butoxy)prop-2-yl isobutyl ester

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

Glutaric acid, 1-(tert-butoxy)prop-2-yl isobutyl ester
SpectraBase Compound ID 19obCHaZSQC
InChI InChI=1S/C16H30O5/c1-12(2)10-19-14(17)8-7-9-15(18)21-13(3)11-20-16(4,5)6/h12-13H,7-11H2,1-6H3
InChIKey QXQCGESRLQPGIO-UHFFFAOYSA-N
Mol Weight 302.41 g/mol
Molecular Formula C16H30O5
Exact Mass 302.209324 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3L9aTy0wUIu
Name Glutaric acid, 1-(tert-butoxy)prop-2-yl isobutyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 302.209324061 u
Formula C16H30O5
InChI InChI=1S/C16H30O5/c1-12(2)10-19-14(17)8-7-9-15(18)21-13(3)11-20-16(4,5)6/h12-13H,7-11H2,1-6H3
InChIKey QXQCGESRLQPGIO-UHFFFAOYSA-N
SMILES C(CCCC(OC(COC(C)(C)C)C)=O)(OCC(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.978543