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Phthalic acid, 2,3-dimethylphenyl nonyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2,3-dimethylphenyl nonyl ester
SpectraBase Compound ID CiKFchE6gqE
InChI InChI=1S/C25H32O4/c1-4-5-6-7-8-9-12-18-28-24(26)21-15-10-11-16-22(21)25(27)29-23-17-13-14-19(2)20(23)3/h10-11,13-17H,4-9,12,18H2,1-3H3
InChIKey BVBQKJNGDFWMNH-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 5pkLeUG0ZKL
Name Phthalic acid, 2,3-dimethylphenyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 396.230059506 u
Formula C25H32O4
InChI InChI=1S/C25H32O4/c1-4-5-6-7-8-9-12-18-28-24(26)21-15-10-11-16-22(21)25(27)29-23-17-13-14-19(2)20(23)3/h10-11,13-17H,4-9,12,18H2,1-3H3
InChIKey BVBQKJNGDFWMNH-UHFFFAOYSA-N
Molecular Weight 396.527 g/mol
SMILES C1(=CC=CC=C1C(OCCCCCCCCC)=O)C(OC1=C(C(C)=CC=C1)C)=O