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Phthalic acid, di(2-propylphenyl) ester

View entire compound with spectra: 1 NMR

Phthalic acid, di(2-propylphenyl) ester
SpectraBase Compound ID LKSGKUbCEWz
InChI InChI=1S/C26H26O4/c1-3-11-19-13-5-9-17-23(19)29-25(27)21-15-7-8-16-22(21)26(28)30-24-18-10-6-14-20(24)12-4-2/h5-10,13-18H,3-4,11-12H2,1-2H3
InChIKey DPXRFHZIYSAEEK-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 EKepX1TS9iH
Name Phthalic 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/c1-3-11-19-13-5-9-17-23(19)29-25(27)21-15-7-8-16-22(21)26(28)30-24-18-10-6-14-20(24)12-4-2/h5-10,13-18H,3-4,11-12H2,1-2H3
InChIKey DPXRFHZIYSAEEK-UHFFFAOYSA-N
Molecular Weight 402.490 g/mol
SMILES C1(=CC=CC=C1C(OC1=CC=CC=C1CCC)=O)C(OC=1C(CCC)=CC=CC1)=O