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Phthalic acid, 3,4-dimethylphenyl heptyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 3,4-dimethylphenyl heptyl ester
SpectraBase Compound ID 7aZxQ6Uc1Te
InChI InChI=1S/C23H28O4/c1-4-5-6-7-10-15-26-22(24)20-11-8-9-12-21(20)23(25)27-19-14-13-17(2)18(3)16-19/h8-9,11-14,16H,4-7,10,15H2,1-3H3
InChIKey MQFIZHXARHTNEV-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 IuTmWMn3Sdh
Name Phthalic acid, 3,4-dimethylphenyl heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 368.198759378 u
Formula C23H28O4
InChI InChI=1S/C23H28O4/c1-4-5-6-7-10-15-26-22(24)20-11-8-9-12-21(20)23(25)27-19-14-13-17(2)18(3)16-19/h8-9,11-14,16H,4-7,10,15H2,1-3H3
InChIKey MQFIZHXARHTNEV-UHFFFAOYSA-N
Molecular Weight 368.473 g/mol
SMILES CCCCCCCOC(C1=C(C(OC2=CC=C(C(=C2)C)C)=O)C=CC=C1)=O