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Isophthalic acid, 2,5-dimethylphenyl isohexyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, 2,5-dimethylphenyl isohexyl ester
SpectraBase Compound ID 1xhZH8qZJYd
InChI InChI=1S/C22H26O4/c1-15(2)7-6-12-25-21(23)18-8-5-9-19(14-18)22(24)26-20-13-16(3)10-11-17(20)4/h5,8-11,13-15H,6-7,12H2,1-4H3
InChIKey HGMIBFGECYUHNB-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 COT446zh7HN
Name Isophthalic acid, 2,5-dimethylphenyl isohexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 354.183109313 u
Formula C22H26O4
InChI InChI=1S/C22H26O4/c1-15(2)7-6-12-25-21(23)18-8-5-9-19(14-18)22(24)26-20-13-16(3)10-11-17(20)4/h5,8-11,13-15H,6-7,12H2,1-4H3
InChIKey HGMIBFGECYUHNB-UHFFFAOYSA-N
Molecular Weight 354.446 g/mol
SMILES CC1=C(C=C(C=C1)C)OC(C1=CC(=CC=C1)C(OCCCC(C)C)=O)=O