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Phthalic acid, 2-methoxybenzyl nonyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2-methoxybenzyl nonyl ester
SpectraBase Compound ID COuZqlTQsOg
InChI InChI=1S/C25H32O5/c1-3-4-5-6-7-8-13-18-29-24(26)21-15-10-11-16-22(21)25(27)30-19-20-14-9-12-17-23(20)28-2/h9-12,14-17H,3-8,13,18-19H2,1-2H3
InChIKey OBPIQTAPJZVCRQ-UHFFFAOYSA-N
Mol Weight 412.5 g/mol
Molecular Formula C25H32O5
Exact Mass 412.224974 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1Mv6JHvOWA6
Name Phthalic acid, 2-methoxybenzyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 412.224974125 u
Formula C25H32O5
InChI InChI=1S/C25H32O5/c1-3-4-5-6-7-8-13-18-29-24(26)21-15-10-11-16-22(21)25(27)30-19-20-14-9-12-17-23(20)28-2/h9-12,14-17H,3-8,13,18-19H2,1-2H3
InChIKey OBPIQTAPJZVCRQ-UHFFFAOYSA-N
Molecular Weight 412.526 g/mol
SMILES C(C1=CC=CC=C1C(=O)OCC=1C(OC)=CC=CC1)(OCCCCCCCCC)=O