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Phthalic acid, 3,5-dimethylphenyl 2-ethylhexyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 3,5-dimethylphenyl 2-ethylhexyl ester
SpectraBase Compound ID IeEo93TbKoN
InChI InChI=1S/C24H30O4/c1-5-7-10-19(6-2)16-27-23(25)21-11-8-9-12-22(21)24(26)28-20-14-17(3)13-18(4)15-20/h8-9,11-15,19H,5-7,10,16H2,1-4H3
InChIKey GZGOSHZNVYPJOU-UHFFFAOYSA-N
Mol Weight 382.5 g/mol
Molecular Formula C24H30O4
Exact Mass 382.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lcml4ljJw23
Name Phthalic acid, 3,5-dimethylphenyl 2-ethylhexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 382.214409442 u
Formula C24H30O4
InChI InChI=1S/C24H30O4/c1-5-7-10-19(6-2)16-27-23(25)21-11-8-9-12-22(21)24(26)28-20-14-17(3)13-18(4)15-20/h8-9,11-15,19H,5-7,10,16H2,1-4H3
InChIKey GZGOSHZNVYPJOU-UHFFFAOYSA-N
Molecular Weight 382.500 g/mol
SMILES C1(=C(C=CC=C1)C(OC1=CC(C)=CC(C)=C1)=O)C(OCC(CCCC)CC)=O