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

View entire compound with spectra: 1 NMR

Phthalic acid, 5-bromo-2-methoxybenzyl hexyl ester
SpectraBase Compound ID ClWO9hzO4tP
InChI InChI=1S/C22H25BrO5/c1-3-4-5-8-13-27-21(24)18-9-6-7-10-19(18)22(25)28-15-16-14-17(23)11-12-20(16)26-2/h6-7,9-12,14H,3-5,8,13,15H2,1-2H3
InChIKey YUYLWQZNHNXRAO-UHFFFAOYSA-N
Mol Weight 449.34 g/mol
Molecular Formula C22H25BrO5
Exact Mass 448.088537 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IOs4F008cgt
Name Phthalic acid, 5-bromo-2-methoxybenzyl hexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 448.088536900 u
Formula C22H25BrO5
InChI InChI=1S/C22H25BrO5/c1-3-4-5-8-13-27-21(24)18-9-6-7-10-19(18)22(25)28-15-16-14-17(23)11-12-20(16)26-2/h6-7,9-12,14H,3-5,8,13,15H2,1-2H3
InChIKey YUYLWQZNHNXRAO-UHFFFAOYSA-N
Molecular Weight 449.341 g/mol
SMILES C1=CC(=C(C=C1)C(=O)OCC1=CC(=CC=C1OC)Br)C(=O)OCCCCCC