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Terephthalic acid, 2-ethylcyclohexyl heptyl ester

View entire compound with spectra: 1 NMR

Terephthalic acid, 2-ethylcyclohexyl heptyl ester
SpectraBase Compound ID CDAhQrWLjNj
InChI InChI=1S/C23H34O4/c1-3-5-6-7-10-17-26-22(24)19-13-15-20(16-14-19)23(25)27-21-12-9-8-11-18(21)4-2/h13-16,18,21H,3-12,17H2,1-2H3
InChIKey AHLWNRQQUDOKJT-UHFFFAOYSA-N
Mol Weight 374.5 g/mol
Molecular Formula C23H34O4
Exact Mass 374.24571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9D8C2m0g3H0
Name Terephthalic acid, 2-ethylcyclohexyl heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 374.245709571 u
Formula C23H34O4
InChI InChI=1S/C23H34O4/c1-3-5-6-7-10-17-26-22(24)19-13-15-20(16-14-19)23(25)27-21-12-9-8-11-18(21)4-2/h13-16,18,21H,3-12,17H2,1-2H3
InChIKey AHLWNRQQUDOKJT-UHFFFAOYSA-N
Molecular Weight 374.521 g/mol
SMILES CCCCCCCOC(C1=CC=C(C=C1)C(OC1CCCCC1CC)=O)=O