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

View entire compound with spectra: 1 NMR

Phthalic acid, 5-bromo-2-methoxybenzyl octyl ester
SpectraBase Compound ID 5MGYsSovJ9v
InChI InChI=1S/C24H29BrO5/c1-3-4-5-6-7-10-15-29-23(26)20-11-8-9-12-21(20)24(27)30-17-18-16-19(25)13-14-22(18)28-2/h8-9,11-14,16H,3-7,10,15,17H2,1-2H3
InChIKey PYFVECPFQUUPER-UHFFFAOYSA-N
Mol Weight 477.4 g/mol
Molecular Formula C24H29BrO5
Exact Mass 476.119837 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5YNZBXosAZk
Name Phthalic acid, 5-bromo-2-methoxybenzyl octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 476.119837029 u
Formula C24H29BrO5
InChI InChI=1S/C24H29BrO5/c1-3-4-5-6-7-10-15-29-23(26)20-11-8-9-12-21(20)24(27)30-17-18-16-19(25)13-14-22(18)28-2/h8-9,11-14,16H,3-7,10,15,17H2,1-2H3
InChIKey PYFVECPFQUUPER-UHFFFAOYSA-N
Molecular Weight 477.395 g/mol
SMILES C1=CC(=C(C=C1)C(=O)OCC1=CC(=CC=C1OC)Br)C(=O)OCCCCCCCC