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Phthalic acid, 3-methoxybenzyl octyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 3-methoxybenzyl octyl ester
SpectraBase Compound ID GSvQLUfC78P
InChI InChI=1S/C24H30O5/c1-3-4-5-6-7-10-16-28-23(25)21-14-8-9-15-22(21)24(26)29-18-19-12-11-13-20(17-19)27-2/h8-9,11-15,17H,3-7,10,16,18H2,1-2H3
InChIKey GOZOCKQDMYCCFO-UHFFFAOYSA-N
Mol Weight 398.5 g/mol
Molecular Formula C24H30O5
Exact Mass 398.209324 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EHgrGklQn38
Name Phthalic acid, 3-methoxybenzyl octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 398.209324061 u
Formula C24H30O5
InChI InChI=1S/C24H30O5/c1-3-4-5-6-7-10-16-28-23(25)21-14-8-9-15-22(21)24(26)29-18-19-12-11-13-20(17-19)27-2/h8-9,11-15,17H,3-7,10,16,18H2,1-2H3
InChIKey GOZOCKQDMYCCFO-UHFFFAOYSA-N
Molecular Weight 398.499 g/mol
SMILES C(C1=CC=CC=C1C(OCC1=CC=CC(OC)=C1)=O)(OCCCCCCCC)=O