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Phthalic acid, 3,5-dimethylphenyl heptyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 3,5-dimethylphenyl heptyl ester
SpectraBase Compound ID FjfuW1oYM03
InChI InChI=1S/C23H28O4/c1-4-5-6-7-10-13-26-22(24)20-11-8-9-12-21(20)23(25)27-19-15-17(2)14-18(3)16-19/h8-9,11-12,14-16H,4-7,10,13H2,1-3H3
InChIKey QOOFPUPQWJXKAW-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 3zOn5ovUc8w
Name Phthalic acid, 3,5-dimethylphenyl heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 368.198759378 u
Formula C23H28O4
InChI InChI=1S/C23H28O4/c1-4-5-6-7-10-13-26-22(24)20-11-8-9-12-21(20)23(25)27-19-15-17(2)14-18(3)16-19/h8-9,11-12,14-16H,4-7,10,13H2,1-3H3
InChIKey QOOFPUPQWJXKAW-UHFFFAOYSA-N
Molecular Weight 368.473 g/mol
SMILES CCCCCCCOC(C1=C(C(OC2=CC(=CC(=C2)C)C)=O)C=CC=C1)=O