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Phthalic acid, 2,3-dimethylphenyl heptyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2,3-dimethylphenyl heptyl ester
SpectraBase Compound ID 455ezGJIrXJ
InChI InChI=1S/C23H28O4/c1-4-5-6-7-10-16-26-22(24)19-13-8-9-14-20(19)23(25)27-21-15-11-12-17(2)18(21)3/h8-9,11-15H,4-7,10,16H2,1-3H3
InChIKey ZNRJRQXZJXHEHP-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 Iu491FLBv1i
Name Phthalic acid, 2,3-dimethylphenyl heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 368.198759378 u
Formula C23H28O4
InChI InChI=1S/C23H28O4/c1-4-5-6-7-10-16-26-22(24)19-13-8-9-14-20(19)23(25)27-21-15-11-12-17(2)18(21)3/h8-9,11-15H,4-7,10,16H2,1-3H3
InChIKey ZNRJRQXZJXHEHP-UHFFFAOYSA-N
Molecular Weight 368.473 g/mol
SMILES C1(=CC=CC=C1C(OCCCCCCC)=O)C(OC1=C(C(C)=CC=C1)C)=O