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Terephthalic acid, di(2-isopropylphenyl) ester
SpectraBase Compound ID 69FC7Ra27cq
InChI InChI=1S/C26H26O4/c1-17(2)21-9-5-7-11-23(21)29-25(27)19-13-15-20(16-14-19)26(28)30-24-12-8-6-10-22(24)18(3)4/h5-18H,1-4H3
InChIKey SUCNBGWQOZSJTP-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 HwqWLSdArHg
Name Terephthalic acid, di(2-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)21-9-5-7-11-23(21)29-25(27)19-13-15-20(16-14-19)26(28)30-24-12-8-6-10-22(24)18(3)4/h5-18H,1-4H3
InChIKey SUCNBGWQOZSJTP-UHFFFAOYSA-N
Molecular Weight 402.490 g/mol
SMILES CC(C)C1=CC=CC=C1OC(C1=CC=C(C=C1)C(OC1=CC=CC=C1C(C)C)=O)=O