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Phthalic acid, 2-methylphenyl octyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2-methylphenyl octyl ester
SpectraBase Compound ID 1ZXX0t25oMz
InChI InChI=1S/C23H28O4/c1-3-4-5-6-7-12-17-26-22(24)19-14-9-10-15-20(19)23(25)27-21-16-11-8-13-18(21)2/h8-11,13-16H,3-7,12,17H2,1-2H3
InChIKey YCLFCMKKJMIKPI-UHFFFAOYSA-N
Mol Weight 368.47 g/mol
Molecular Formula C23H28O4
Exact Mass 368.198759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D1fiLuClPjU
Name Phthalic acid, 2-methylphenyl octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 368.198759378 u
Formula C23H28O4
InChI InChI=1S/C23H28O4/c1-3-4-5-6-7-12-17-26-22(24)19-14-9-10-15-20(19)23(25)27-21-16-11-8-13-18(21)2/h8-11,13-16H,3-7,12,17H2,1-2H3
InChIKey YCLFCMKKJMIKPI-UHFFFAOYSA-N
Molecular Weight 368.473 g/mol
SMILES C1=C(C(=CC=C1)C)OC(C1=C(C=CC=C1)C(=O)OCCCCCCCC)=O