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Isophthalic acid, di(2-propylphenyl) ester

View entire compound with spectra: 1 NMR

Isophthalic acid, di(2-propylphenyl) ester
SpectraBase Compound ID AuvMdjHssDC
InChI InChI=1S/C26H26O4/c1-3-10-19-12-5-7-16-23(19)29-25(27)21-14-9-15-22(18-21)26(28)30-24-17-8-6-13-20(24)11-4-2/h5-9,12-18H,3-4,10-11H2,1-2H3
InChIKey PPVZUGWEWZMALR-UHFFFAOYSA-N
Mol Weight 402.49 g/mol
Molecular Formula C26H26O4
Exact Mass 402.183109 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7XNkoll1eEW
Name Isophthalic acid, di(2-propylphenyl) ester
Comments Computed using HOSE algorithm
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Exact Mass 402.183109313 u
Formula C26H26O4
InChI InChI=1S/C26H26O4/c1-3-10-19-12-5-7-16-23(19)29-25(27)21-14-9-15-22(18-21)26(28)30-24-17-8-6-13-20(24)11-4-2/h5-9,12-18H,3-4,10-11H2,1-2H3
InChIKey PPVZUGWEWZMALR-UHFFFAOYSA-N
Molecular Weight 402.490 g/mol
SMILES C1(=CC=CC(=C1)C(=O)OC1=C(C=CC=C1)CCC)C(OC=1C(CCC)=CC=CC1)=O