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Phthalic acid, 2-methoxybenzyl octyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2-methoxybenzyl octyl ester
SpectraBase Compound ID KH4cDFWcP32
InChI InChI=1S/C24H30O5/c1-3-4-5-6-7-12-17-28-23(25)20-14-9-10-15-21(20)24(26)29-18-19-13-8-11-16-22(19)27-2/h8-11,13-16H,3-7,12,17-18H2,1-2H3
InChIKey MVEVWPRKBOHRJZ-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 EnojrqyHMqu
Name Phthalic acid, 2-methoxybenzyl octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 398.209324061 u
Formula C24H30O5
InChI InChI=1S/C24H30O5/c1-3-4-5-6-7-12-17-28-23(25)20-14-9-10-15-21(20)24(26)29-18-19-13-8-11-16-22(19)27-2/h8-11,13-16H,3-7,12,17-18H2,1-2H3
InChIKey MVEVWPRKBOHRJZ-UHFFFAOYSA-N
Molecular Weight 398.499 g/mol
SMILES C(C1=CC=CC=C1C(=O)OCC=1C(OC)=CC=CC1)(OCCCCCCCC)=O