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Phthalic acid, 3,5-dimethylphenyl isohexyl ester

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Phthalic acid, 3,5-dimethylphenyl isohexyl ester
SpectraBase Compound ID 16OhjL025Hg
InChI InChI=1S/C22H26O4/c1-15(2)8-7-11-25-21(23)19-9-5-6-10-20(19)22(24)26-18-13-16(3)12-17(4)14-18/h5-6,9-10,12-15H,7-8,11H2,1-4H3
InChIKey ZDRBTYKMIIYQFB-UHFFFAOYSA-N
Mol Weight 354.45 g/mol
Molecular Formula C22H26O4
Exact Mass 354.183109 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 491YUdtUJ2M
Name Phthalic acid, 3,5-dimethylphenyl isohexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 354.183109313 u
Formula C22H26O4
InChI InChI=1S/C22H26O4/c1-15(2)8-7-11-25-21(23)19-9-5-6-10-20(19)22(24)26-18-13-16(3)12-17(4)14-18/h5-6,9-10,12-15H,7-8,11H2,1-4H3
InChIKey ZDRBTYKMIIYQFB-UHFFFAOYSA-N
Molecular Weight 354.446 g/mol
SMILES C(C1=CC=CC=C1C(OCCCC(C)C)=O)(OC1=CC(=CC(=C1)C)C)=O