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Phthalic acid, 3,4-dimethylphenyl nonyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 3,4-dimethylphenyl nonyl ester
SpectraBase Compound ID JARgIdmY0h
InChI InChI=1S/C25H32O4/c1-4-5-6-7-8-9-12-17-28-24(26)22-13-10-11-14-23(22)25(27)29-21-16-15-19(2)20(3)18-21/h10-11,13-16,18H,4-9,12,17H2,1-3H3
InChIKey DJZMWENEGCQPPZ-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 Lw1zlY3XSiQ
Name Phthalic acid, 3,4-dimethylphenyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 396.230059506 u
Formula C25H32O4
InChI InChI=1S/C25H32O4/c1-4-5-6-7-8-9-12-17-28-24(26)22-13-10-11-14-23(22)25(27)29-21-16-15-19(2)20(3)18-21/h10-11,13-16,18H,4-9,12,17H2,1-3H3
InChIKey DJZMWENEGCQPPZ-UHFFFAOYSA-N
Molecular Weight 396.527 g/mol
SMILES CCCCCCCCCOC(C1=C(C(OC2=CC=C(C(=C2)C)C)=O)C=CC=C1)=O