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Phthalic acid, 3,4-dimethylphenyl 3,5-dimethylphenyl ester
SpectraBase Compound ID FaKpb3PN3gM
InChI InChI=1S/C24H22O4/c1-15-11-16(2)13-20(12-15)28-24(26)22-8-6-5-7-21(22)23(25)27-19-10-9-17(3)18(4)14-19/h5-14H,1-4H3
InChIKey GKQMRWUSWRLBQE-UHFFFAOYSA-N
Mol Weight 374.44 g/mol
Molecular Formula C24H22O4
Exact Mass 374.151809 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KCBXSGj8VD1
Name Phthalic acid, 3,4-dimethylphenyl 3,5-dimethylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 374.151809184 u
Formula C24H22O4
InChI InChI=1S/C24H22O4/c1-15-11-16(2)13-20(12-15)28-24(26)22-8-6-5-7-21(22)23(25)27-19-10-9-17(3)18(4)14-19/h5-14H,1-4H3
InChIKey GKQMRWUSWRLBQE-UHFFFAOYSA-N
Molecular Weight 374.436 g/mol
SMILES C1(=C(C=CC=C1)C(OC1=CC(=CC(=C1)C)C)=O)C(OC1=CC(=C(C=C1)C)C)=O