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Terephthalic acid, nonyl 2-phenylethyl ester

View entire compound with spectra: 1 NMR

Terephthalic acid, nonyl 2-phenylethyl ester
SpectraBase Compound ID 6V2OL5XTi7Y
InChI InChI=1S/C25H32O4/c1-2-3-4-5-6-7-11-19-28-24(26)22-14-16-23(17-15-22)25(27)29-20-18-21-12-9-8-10-13-21/h8-10,12-17H,2-7,11,18-20H2,1H3
InChIKey HRWUJUHVLSQKIY-UHFFFAOYSA-N
Mol Weight 396.5 g/mol
Molecular Formula C25H32O4
Exact Mass 396.23006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8rHi06qClC1
Name Terephthalic acid, nonyl 2-phenylethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 396.230059506 u
Formula C25H32O4
InChI InChI=1S/C25H32O4/c1-2-3-4-5-6-7-11-19-28-24(26)22-14-16-23(17-15-22)25(27)29-20-18-21-12-9-8-10-13-21/h8-10,12-17H,2-7,11,18-20H2,1H3
InChIKey HRWUJUHVLSQKIY-UHFFFAOYSA-N
Molecular Weight 396.527 g/mol
SMILES C1=C(C=CC(=C1)C(OCCCCCCCCC)=O)C(OCCC1=CC=CC=C1)=O