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Isophthalic acid, 2-methylcyclohexyl octyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, 2-methylcyclohexyl octyl ester
SpectraBase Compound ID HVzr8bq077n
InChI InChI=1S/C23H34O4/c1-3-4-5-6-7-10-16-26-22(24)19-13-11-14-20(17-19)23(25)27-21-15-9-8-12-18(21)2/h11,13-14,17-18,21H,3-10,12,15-16H2,1-2H3
InChIKey JWAZXWZYRDGVLZ-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 5Q3zMiXzSqr
Name Isophthalic acid, 2-methylcyclohexyl octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 374.245709571 u
Formula C23H34O4
InChI InChI=1S/C23H34O4/c1-3-4-5-6-7-10-16-26-22(24)19-13-11-14-20(17-19)23(25)27-21-15-9-8-12-18(21)2/h11,13-14,17-18,21H,3-10,12,15-16H2,1-2H3
InChIKey JWAZXWZYRDGVLZ-UHFFFAOYSA-N
Molecular Weight 374.521 g/mol
SMILES CCCCCCCCOC(C=1C=C(C(OC2CCCCC2C)=O)C=CC1)=O