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Phthalic acid, di(4-isopropylphenyl) ester
SpectraBase Compound ID 3hWoD09PoG
InChI InChI=1S/C26H26O4/c1-17(2)19-9-13-21(14-10-19)29-25(27)23-7-5-6-8-24(23)26(28)30-22-15-11-20(12-16-22)18(3)4/h5-18H,1-4H3
InChIKey HALKDACPHQGWCT-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 EG9wS7cJ3lx
Name Phthalic acid, di(4-isopropylphenyl) ester
Comments Computed using HOSE algorithm
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Exact Mass 402.183109313 u
Formula C26H26O4
InChI InChI=1S/C26H26O4/c1-17(2)19-9-13-21(14-10-19)29-25(27)23-7-5-6-8-24(23)26(28)30-22-15-11-20(12-16-22)18(3)4/h5-18H,1-4H3
InChIKey HALKDACPHQGWCT-UHFFFAOYSA-N
Molecular Weight 402.490 g/mol
SMILES C(C1=CC=CC=C1C(OC1=CC=C(C(C)C)C=C1)=O)(=O)OC1=CC=C(C(C)C)C=C1