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Terephthalic acid, 3,7-dimethylocta-2,6-dienyl isohexyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Terephthalic acid, 3,7-dimethylocta-2,6-dienyl isohexyl ester
SpectraBase Compound ID KWXQs91aLUa
InChI InChI=1S/C24H34O4/c1-18(2)8-6-10-20(5)15-17-28-24(26)22-13-11-21(12-14-22)23(25)27-16-7-9-19(3)4/h8,11-15,19H,6-7,9-10,16-17H2,1-5H3/b20-15+
InChIKey OWPZYEAVIRUQKT-HMMYKYKNSA-N
Mol Weight 386.5 g/mol
Molecular Formula C24H34O4
Exact Mass 386.24571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ETRWmFsOPYo
Name Terephthalic acid, 3,7-dimethylocta-2,6-dienyl isohexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 386.245709571 u
Formula C24H34O4
InChI InChI=1S/C24H34O4/c1-18(2)8-6-10-20(5)15-17-28-24(26)22-13-11-21(12-14-22)23(25)27-16-7-9-19(3)4/h8,11-15,19H,6-7,9-10,16-17H2,1-5H3/b20-15+
InChIKey OWPZYEAVIRUQKT-HMMYKYKNSA-N
Molecular Weight 386.532 g/mol
SMILES C1(=CC=C(C=C1)C(OCCCC(C)C)=O)C(OC\C=C/(C)CCC=C(C)C)=O