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

View entire compound with spectra: 1 NMR

Phthalic acid, 5-bromo-2-methoxybenzyl heptyl ester
SpectraBase Compound ID jItwoKmWDM
InChI InChI=1S/C23H27BrO5/c1-3-4-5-6-9-14-28-22(25)19-10-7-8-11-20(19)23(26)29-16-17-15-18(24)12-13-21(17)27-2/h7-8,10-13,15H,3-6,9,14,16H2,1-2H3
InChIKey UKBJSLYDLFRGAF-UHFFFAOYSA-N
Mol Weight 463.37 g/mol
Molecular Formula C23H27BrO5
Exact Mass 462.104187 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JeVuLKUaiiq
Name Phthalic acid, 5-bromo-2-methoxybenzyl heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 462.104186964 u
Formula C23H27BrO5
InChI InChI=1S/C23H27BrO5/c1-3-4-5-6-9-14-28-22(25)19-10-7-8-11-20(19)23(26)29-16-17-15-18(24)12-13-21(17)27-2/h7-8,10-13,15H,3-6,9,14,16H2,1-2H3
InChIKey UKBJSLYDLFRGAF-UHFFFAOYSA-N
Molecular Weight 463.368 g/mol
SMILES C1=CC(=C(C=C1)C(=O)OCC1=CC(=CC=C1OC)Br)C(=O)OCCCCCCC