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Terephthalic acid, octyl 2-phenylethyl ester

View entire compound with spectra: 1 NMR

Terephthalic acid, octyl 2-phenylethyl ester
SpectraBase Compound ID 3AE9J5LeaSp
InChI InChI=1S/C24H30O4/c1-2-3-4-5-6-10-18-27-23(25)21-13-15-22(16-14-21)24(26)28-19-17-20-11-8-7-9-12-20/h7-9,11-16H,2-6,10,17-19H2,1H3
InChIKey HKSMJZCWCJZRFW-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 Jk5xLH8pshz
Name Terephthalic acid, octyl 2-phenylethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 382.214409442 u
Formula C24H30O4
InChI InChI=1S/C24H30O4/c1-2-3-4-5-6-10-18-27-23(25)21-13-15-22(16-14-21)24(26)28-19-17-20-11-8-7-9-12-20/h7-9,11-16H,2-6,10,17-19H2,1H3
InChIKey HKSMJZCWCJZRFW-UHFFFAOYSA-N
Molecular Weight 382.500 g/mol
SMILES C1=CC(=CC=C1C(OCCCCCCCC)=O)C(OCCC1=CC=CC=C1)=O