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Terephthalic acid, 3,5-dimethylphenyl nonyl ester

View entire compound with spectra: 1 NMR

Terephthalic acid, 3,5-dimethylphenyl nonyl ester
SpectraBase Compound ID IHvDplUV4eQ
InChI InChI=1S/C25H32O4/c1-4-5-6-7-8-9-10-15-28-24(26)21-11-13-22(14-12-21)25(27)29-23-17-19(2)16-20(3)18-23/h11-14,16-18H,4-10,15H2,1-3H3
InChIKey VBOXXRNUABIFBD-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 6FPaUlQBUMZ
Name Terephthalic acid, 3,5-dimethylphenyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 396.230059506 u
Formula C25H32O4
InChI InChI=1S/C25H32O4/c1-4-5-6-7-8-9-10-15-28-24(26)21-11-13-22(14-12-21)25(27)29-23-17-19(2)16-20(3)18-23/h11-14,16-18H,4-10,15H2,1-3H3
InChIKey VBOXXRNUABIFBD-UHFFFAOYSA-N
Molecular Weight 396.527 g/mol
SMILES C1=CC(=CC=C1C(OCCCCCCCCC)=O)C(OC1=CC(=CC(=C1)C)C)=O