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Isophthalic acid, 2-ethylphenyl heptyl ester
SpectraBase Compound ID KQPYxNzU5AR
InChI InChI=1S/C23H28O4/c1-3-5-6-7-10-16-26-22(24)19-13-11-14-20(17-19)23(25)27-21-15-9-8-12-18(21)4-2/h8-9,11-15,17H,3-7,10,16H2,1-2H3
InChIKey MKCKAFLMSWMCNQ-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 GxGZ6jDz7wJ
Name Isophthalic acid, 2-ethylphenyl heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 368.198759378 u
Formula C23H28O4
InChI InChI=1S/C23H28O4/c1-3-5-6-7-10-16-26-22(24)19-13-11-14-20(17-19)23(25)27-21-15-9-8-12-18(21)4-2/h8-9,11-15,17H,3-7,10,16H2,1-2H3
InChIKey MKCKAFLMSWMCNQ-UHFFFAOYSA-N
Molecular Weight 368.473 g/mol
SMILES C1=CC(=CC(=C1)C(=O)OCCCCCCC)C(OC1=C(CC)C=CC=C1)=O