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Phthalic acid, 3,4-dimethylphenyl hexyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 3,4-dimethylphenyl hexyl ester
SpectraBase Compound ID Gv3vdORfxpW
InChI InChI=1S/C22H26O4/c1-4-5-6-9-14-25-21(23)19-10-7-8-11-20(19)22(24)26-18-13-12-16(2)17(3)15-18/h7-8,10-13,15H,4-6,9,14H2,1-3H3
InChIKey DMBVWOUIGIRZNC-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 G6JUF0zfzD5
Name Phthalic acid, 3,4-dimethylphenyl hexyl 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/c1-4-5-6-9-14-25-21(23)19-10-7-8-11-20(19)22(24)26-18-13-12-16(2)17(3)15-18/h7-8,10-13,15H,4-6,9,14H2,1-3H3
InChIKey DMBVWOUIGIRZNC-UHFFFAOYSA-N
Molecular Weight 354.446 g/mol
SMILES CCCCCCOC(C1=C(C(OC2=CC=C(C(=C2)C)C)=O)C=CC=C1)=O