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Phthalic acid, 2-cyclohexylethyl heptyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2-cyclohexylethyl heptyl ester
SpectraBase Compound ID LvW0Orc5qRE
InChI InChI=1S/C23H34O4/c1-2-3-4-5-11-17-26-22(24)20-14-9-10-15-21(20)23(25)27-18-16-19-12-7-6-8-13-19/h9-10,14-15,19H,2-8,11-13,16-18H2,1H3
InChIKey ZLVMPNDJJRDUNK-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 1FrGdtskZ6m
Name Phthalic acid, 2-cyclohexylethyl heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 374.245709571 u
Formula C23H34O4
InChI InChI=1S/C23H34O4/c1-2-3-4-5-11-17-26-22(24)20-14-9-10-15-21(20)23(25)27-18-16-19-12-7-6-8-13-19/h9-10,14-15,19H,2-8,11-13,16-18H2,1H3
InChIKey ZLVMPNDJJRDUNK-UHFFFAOYSA-N
Molecular Weight 374.521 g/mol
SMILES CCCCCCCOC(C=1C(C(OCCC2CCCCC2)=O)=CC=CC1)=O