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Terephthalic acid, 3,5-dimethylphenyl octyl ester

View entire compound with spectra: 1 NMR

Terephthalic acid, 3,5-dimethylphenyl octyl ester
SpectraBase Compound ID FuaRBIwzjPn
InChI InChI=1S/C24H30O4/c1-4-5-6-7-8-9-14-27-23(25)20-10-12-21(13-11-20)24(26)28-22-16-18(2)15-19(3)17-22/h10-13,15-17H,4-9,14H2,1-3H3
InChIKey KVALLZSUPBIXQS-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 84NgS6tzjhl
Name Terephthalic acid, 3,5-dimethylphenyl octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 382.214409442 u
Formula C24H30O4
InChI InChI=1S/C24H30O4/c1-4-5-6-7-8-9-14-27-23(25)20-10-12-21(13-11-20)24(26)28-22-16-18(2)15-19(3)17-22/h10-13,15-17H,4-9,14H2,1-3H3
InChIKey KVALLZSUPBIXQS-UHFFFAOYSA-N
Molecular Weight 382.500 g/mol
SMILES C1=CC(=CC=C1C(OCCCCCCCC)=O)C(OC1=CC(=CC(=C1)C)C)=O