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Phthalic acid, di(2,4,4-trimethylpentyl) ester

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

Phthalic acid, di(2,4,4-trimethylpentyl) ester
SpectraBase Compound ID 1w8yZZk5zUT
InChI InChI=1S/C24H38O4/c1-17(13-23(3,4)5)15-27-21(25)19-11-9-10-12-20(19)22(26)28-16-18(2)14-24(6,7)8/h9-12,17-18H,13-16H2,1-8H3
InChIKey LTKXIKQHSDOYMD-UHFFFAOYSA-N
Mol Weight 390.6 g/mol
Molecular Formula C24H38O4
Exact Mass 390.27701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IyAgszczaUt
Name Phthalic acid, di(2,4,4-trimethylpentyl) ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 390.277009700 u
Formula C24H38O4
InChI InChI=1S/C24H38O4/c1-17(13-23(3,4)5)15-27-21(25)19-11-9-10-12-20(19)22(26)28-16-18(2)14-24(6,7)8/h9-12,17-18H,13-16H2,1-8H3
InChIKey LTKXIKQHSDOYMD-UHFFFAOYSA-N
Molecular Weight 390.564 g/mol
SMILES C(C1=CC=CC=C1C(OCC(C)CC(C)(C)C)=O)(OCC(CC(C)(C)C)C)=O