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Phthalic acid, 2-ethylcyclohexyl heptyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2-ethylcyclohexyl heptyl ester
SpectraBase Compound ID A2wrBMWnlJX
InChI InChI=1S/C23H34O4/c1-3-5-6-7-12-17-26-22(24)19-14-9-10-15-20(19)23(25)27-21-16-11-8-13-18(21)4-2/h9-10,14-15,18,21H,3-8,11-13,16-17H2,1-2H3
InChIKey IVFJYOYBOPFXJX-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 4OAVrbcWv7d
Name Phthalic 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/c1-3-5-6-7-12-17-26-22(24)19-14-9-10-15-20(19)23(25)27-21-16-11-8-13-18(21)4-2/h9-10,14-15,18,21H,3-8,11-13,16-17H2,1-2H3
InChIKey IVFJYOYBOPFXJX-UHFFFAOYSA-N
Molecular Weight 374.521 g/mol
SMILES CCCCCCCOC(C1=C(C=CC=C1)C(OC1C(CCCC1)CC)=O)=O