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Phthalic acid, 4,4-dimethylpent-2-yl isobutyl ester

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

Phthalic acid, 4,4-dimethylpent-2-yl isobutyl ester
SpectraBase Compound ID 5z37AZhvSsr
InChI InChI=1S/C19H28O4/c1-13(2)12-22-17(20)15-9-7-8-10-16(15)18(21)23-14(3)11-19(4,5)6/h7-10,13-14H,11-12H2,1-6H3
InChIKey HKTINSOCNHSATP-UHFFFAOYSA-N
Mol Weight 320.43 g/mol
Molecular Formula C19H28O4
Exact Mass 320.198759 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Es68h3VocOa
Name Phthalic acid, 4,4-dimethylpent-2-yl isobutyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 320.198759378 u
Formula C19H28O4
InChI InChI=1S/C19H28O4/c1-13(2)12-22-17(20)15-9-7-8-10-16(15)18(21)23-14(3)11-19(4,5)6/h7-10,13-14H,11-12H2,1-6H3
InChIKey HKTINSOCNHSATP-UHFFFAOYSA-N
Molecular Weight 320.429 g/mol
SMILES C1=CC=CC(=C1C(=O)OCC(C)C)C(OC(C)CC(C)(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.94142