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Phthalic acid, 3,5-dimethylphenyl 3-phenylpropyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 3,5-dimethylphenyl 3-phenylpropyl ester
SpectraBase Compound ID Jrvw1xvMlyu
InChI InChI=1S/C25H24O4/c1-18-15-19(2)17-21(16-18)29-25(27)23-13-7-6-12-22(23)24(26)28-14-8-11-20-9-4-3-5-10-20/h3-7,9-10,12-13,15-17H,8,11,14H2,1-2H3
InChIKey YRBBIQRYOPVTKE-UHFFFAOYSA-N
Mol Weight 388.46 g/mol
Molecular Formula C25H24O4
Exact Mass 388.167459 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AsATTrnK1k2
Name Phthalic acid, 3,5-dimethylphenyl 3-phenylpropyl ester
Comments Computed using HOSE algorithm
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Exact Mass 388.167459249 u
Formula C25H24O4
InChI InChI=1S/C25H24O4/c1-18-15-19(2)17-21(16-18)29-25(27)23-13-7-6-12-22(23)24(26)28-14-8-11-20-9-4-3-5-10-20/h3-7,9-10,12-13,15-17H,8,11,14H2,1-2H3
InChIKey YRBBIQRYOPVTKE-UHFFFAOYSA-N
Molecular Weight 388.463 g/mol
SMILES C(OCCCC1=CC=CC=C1)(=O)C1=C(C=CC=C1)C(OC1=CC(C)=CC(C)=C1)=O