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Phthalic acid, cyclohexyl 3,4-dimethylphenyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, cyclohexyl 3,4-dimethylphenyl ester
SpectraBase Compound ID ExNNQkKQB1n
InChI InChI=1S/C22H24O4/c1-15-12-13-18(14-16(15)2)26-22(24)20-11-7-6-10-19(20)21(23)25-17-8-4-3-5-9-17/h6-7,10-14,17H,3-5,8-9H2,1-2H3
InChIKey GGSJGIHKVOLWTP-UHFFFAOYSA-N
Mol Weight 352.43 g/mol
Molecular Formula C22H24O4
Exact Mass 352.167459 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ADaHMceB30R
Name Phthalic acid, cyclohexyl 3,4-dimethylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 352.167459249 u
Formula C22H24O4
InChI InChI=1S/C22H24O4/c1-15-12-13-18(14-16(15)2)26-22(24)20-11-7-6-10-19(20)21(23)25-17-8-4-3-5-9-17/h6-7,10-14,17H,3-5,8-9H2,1-2H3
InChIKey GGSJGIHKVOLWTP-UHFFFAOYSA-N
Molecular Weight 352.430 g/mol
SMILES C1(=C(C=CC=C1)C(OC1=CC(=C(C=C1)C)C)=O)C(OC1CCCCC1)=O