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Phthalic acid, 3,3-dimethylbut-2-yl isobutyl ester

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

Phthalic acid, 3,3-dimethylbut-2-yl isobutyl ester
SpectraBase Compound ID 151qWv5tnql
InChI InChI=1S/C18H26O4/c1-12(2)11-21-16(19)14-9-7-8-10-15(14)17(20)22-13(3)18(4,5)6/h7-10,12-13H,11H2,1-6H3
InChIKey FYVGFDNOHPOTNO-UHFFFAOYSA-N
Mol Weight 306.4 g/mol
Molecular Formula C18H26O4
Exact Mass 306.183109 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6dCTl0h83cZ
Name Phthalic acid, 3,3-dimethylbut-2-yl isobutyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 306.183109313 u
Formula C18H26O4
InChI InChI=1S/C18H26O4/c1-12(2)11-21-16(19)14-9-7-8-10-15(14)17(20)22-13(3)18(4,5)6/h7-10,12-13H,11H2,1-6H3
InChIKey FYVGFDNOHPOTNO-UHFFFAOYSA-N
Molecular Weight 306.402 g/mol
SMILES C1=CC=CC(=C1C(OC(C(C)(C)C)C)=O)C(OCC(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.810402