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Phthalic acid, nonyl 2-phenylethyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, nonyl 2-phenylethyl ester
SpectraBase Compound ID AzO8oe0RNw
InChI InChI=1S/C25H32O4/c1-2-3-4-5-6-7-13-19-28-24(26)22-16-11-12-17-23(22)25(27)29-20-18-21-14-9-8-10-15-21/h8-12,14-17H,2-7,13,18-20H2,1H3
InChIKey UFVBMLIICSFQOP-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 I7PT6x0yMfj
Name Phthalic acid, nonyl 2-phenylethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 396.230059506 u
Formula C25H32O4
InChI InChI=1S/C25H32O4/c1-2-3-4-5-6-7-13-19-28-24(26)22-16-11-12-17-23(22)25(27)29-20-18-21-14-9-8-10-15-21/h8-12,14-17H,2-7,13,18-20H2,1H3
InChIKey UFVBMLIICSFQOP-UHFFFAOYSA-N
Molecular Weight 396.527 g/mol
SMILES C(COC(C1=C(C(OCCCCCCCCC)=O)C=CC=C1)=O)C1=CC=CC=C1