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Phthalic acid, 3-methylphenyl octyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 3-methylphenyl octyl ester
SpectraBase Compound ID KNRZQ0scPx3
InChI InChI=1S/C23H28O4/c1-3-4-5-6-7-10-16-26-22(24)20-14-8-9-15-21(20)23(25)27-19-13-11-12-18(2)17-19/h8-9,11-15,17H,3-7,10,16H2,1-2H3
InChIKey SAPJEQQZXCZMHC-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 81ITfDezZsT
Name Phthalic acid, 3-methylphenyl octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 368.198759378 u
Formula C23H28O4
InChI InChI=1S/C23H28O4/c1-3-4-5-6-7-10-16-26-22(24)20-14-8-9-15-21(20)23(25)27-19-13-11-12-18(2)17-19/h8-9,11-15,17H,3-7,10,16H2,1-2H3
InChIKey SAPJEQQZXCZMHC-UHFFFAOYSA-N
Molecular Weight 368.473 g/mol
SMILES CCCCCCCCOC(C1=C(C(OC2=CC=CC(=C2)C)=O)C=CC=C1)=O