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

View entire compound with spectra: 1 NMR

Phthalic acid, 5-bromo-2-methoxybenzyl tridecyl ester
SpectraBase Compound ID 5zVtw9FM0xS
InChI InChI=1S/C29H39BrO5/c1-3-4-5-6-7-8-9-10-11-12-15-20-34-28(31)25-16-13-14-17-26(25)29(32)35-22-23-21-24(30)18-19-27(23)33-2/h13-14,16-19,21H,3-12,15,20,22H2,1-2H3
InChIKey KLGMLNNFHGLAMD-UHFFFAOYSA-N
Mol Weight 547.5 g/mol
Molecular Formula C29H39BrO5
Exact Mass 546.198087 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6tez9Vk0P9B
Name Phthalic acid, 5-bromo-2-methoxybenzyl tridecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 546.198087351 u
Formula C29H39BrO5
InChI InChI=1S/C29H39BrO5/c1-3-4-5-6-7-8-9-10-11-12-15-20-34-28(31)25-16-13-14-17-26(25)29(32)35-22-23-21-24(30)18-19-27(23)33-2/h13-14,16-19,21H,3-12,15,20,22H2,1-2H3
InChIKey KLGMLNNFHGLAMD-UHFFFAOYSA-N
Molecular Weight 547.530 g/mol
SMILES C1=CC(=C(C=C1)C(=O)OCC1=CC(=CC=C1OC)Br)C(=O)OCCCCCCCCCCCCC