For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

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

View entire compound with spectra: 1 NMR

Phthalic acid, 5-bromo-2-methoxybenzyl decyl ester
SpectraBase Compound ID BYAEZGQrE1J
InChI InChI=1S/C26H33BrO5/c1-3-4-5-6-7-8-9-12-17-31-25(28)22-13-10-11-14-23(22)26(29)32-19-20-18-21(27)15-16-24(20)30-2/h10-11,13-16,18H,3-9,12,17,19H2,1-2H3
InChIKey TVAWJRFUHDIQQA-UHFFFAOYSA-N
Mol Weight 505.4 g/mol
Molecular Formula C26H33BrO5
Exact Mass 504.151137 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID BKWOs6PLJzz
Name Phthalic acid, 5-bromo-2-methoxybenzyl decyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 504.151137158 u
Formula C26H33BrO5
InChI InChI=1S/C26H33BrO5/c1-3-4-5-6-7-8-9-12-17-31-25(28)22-13-10-11-14-23(22)26(29)32-19-20-18-21(27)15-16-24(20)30-2/h10-11,13-16,18H,3-9,12,17,19H2,1-2H3
InChIKey TVAWJRFUHDIQQA-UHFFFAOYSA-N
Molecular Weight 505.449 g/mol
SMILES C1=CC(=C(C=C1)C(=O)OCC1=CC(=CC=C1OC)Br)C(=O)OCCCCCCCCCC