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Terephthalic acid, 3-methylbenzyl octyl ester

View entire compound with spectra: 1 NMR

Terephthalic acid, 3-methylbenzyl octyl ester
SpectraBase Compound ID AiyXBiyAeYM
InChI InChI=1S/C24H30O4/c1-3-4-5-6-7-8-16-27-23(25)21-12-14-22(15-13-21)24(26)28-18-20-11-9-10-19(2)17-20/h9-15,17H,3-8,16,18H2,1-2H3
InChIKey LHMRNRDJVNHKBI-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 HTjjaCW0mJT
Name Terephthalic acid, 3-methylbenzyl octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 382.214409442 u
Formula C24H30O4
InChI InChI=1S/C24H30O4/c1-3-4-5-6-7-8-16-27-23(25)21-12-14-22(15-13-21)24(26)28-18-20-11-9-10-19(2)17-20/h9-15,17H,3-8,16,18H2,1-2H3
InChIKey LHMRNRDJVNHKBI-UHFFFAOYSA-N
Molecular Weight 382.500 g/mol
SMILES C1=CC(=CC=C1C(OCC1=CC(=CC=C1)C)=O)C(OCCCCCCCC)=O