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Phthalic acid, octyl 1-phenylpropyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, octyl 1-phenylpropyl ester
SpectraBase Compound ID 9IXHmJgbZvB
InChI InChI=1S/C25H32O4/c1-3-5-6-7-8-14-19-28-24(26)21-17-12-13-18-22(21)25(27)29-23(4-2)20-15-10-9-11-16-20/h9-13,15-18,23H,3-8,14,19H2,1-2H3
InChIKey IWABJZPUNMFFLS-UHFFFAOYSA-N
Mol Weight 396.5 g/mol
Molecular Formula C25H32O4
Exact Mass 396.23006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 74NI1J4mYSQ
Name Phthalic acid, octyl 1-phenylpropyl ester
Comments Computed using HOSE algorithm
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Exact Mass 396.230059506 u
Formula C25H32O4
InChI InChI=1S/C25H32O4/c1-3-5-6-7-8-14-19-28-24(26)21-17-12-13-18-22(21)25(27)29-23(4-2)20-15-10-9-11-16-20/h9-13,15-18,23H,3-8,14,19H2,1-2H3
InChIKey IWABJZPUNMFFLS-UHFFFAOYSA-N
Molecular Weight 396.527 g/mol
SMILES C(OC(CC)C1=CC=CC=C1)(=O)C1=C(C=CC=C1)C(OCCCCCCCC)=O