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Phthalic acid, 3,4-dimethylphenyl isohexyl ester

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Phthalic acid, 3,4-dimethylphenyl isohexyl ester
SpectraBase Compound ID GpsYJZOzTAV
InChI InChI=1S/C22H26O4/c1-15(2)8-7-13-25-21(23)19-9-5-6-10-20(19)22(24)26-18-12-11-16(3)17(4)14-18/h5-6,9-12,14-15H,7-8,13H2,1-4H3
InChIKey APXKKGHUACFRDW-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 98kY48126wr
Name Phthalic acid, 3,4-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)8-7-13-25-21(23)19-9-5-6-10-20(19)22(24)26-18-12-11-16(3)17(4)14-18/h5-6,9-12,14-15H,7-8,13H2,1-4H3
InChIKey APXKKGHUACFRDW-UHFFFAOYSA-N
Molecular Weight 354.446 g/mol
SMILES C1(=CC=C(C(=C1)C)C)OC(C1=CC=CC=C1C(OCCCC(C)C)=O)=O