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Phthalic acid, 5-bromo-2-methoxybenzyl nonyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 5-bromo-2-methoxybenzyl nonyl ester
SpectraBase Compound ID L8xEFd8Qnat
InChI InChI=1S/C25H31BrO5/c1-3-4-5-6-7-8-11-16-30-24(27)21-12-9-10-13-22(21)25(28)31-18-19-17-20(26)14-15-23(19)29-2/h9-10,12-15,17H,3-8,11,16,18H2,1-2H3
InChIKey AGRCELSYDNDJMQ-UHFFFAOYSA-N
Mol Weight 491.42 g/mol
Molecular Formula C25H31BrO5
Exact Mass 490.135487 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FXapaT9H1bL
Name Phthalic acid, 5-bromo-2-methoxybenzyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 490.135487093 u
Formula C25H31BrO5
InChI InChI=1S/C25H31BrO5/c1-3-4-5-6-7-8-11-16-30-24(27)21-12-9-10-13-22(21)25(28)31-18-19-17-20(26)14-15-23(19)29-2/h9-10,12-15,17H,3-8,11,16,18H2,1-2H3
InChIKey AGRCELSYDNDJMQ-UHFFFAOYSA-N
Molecular Weight 491.422 g/mol
SMILES C1=CC(=C(C=C1)C(=O)OCC1=CC(=CC=C1OC)Br)C(=O)OCCCCCCCCC