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

*Links on SpectraBase are not permalinks.

Benzoic acid, 2-bromo-3,4,5-trimethoxy-, 3,5-dimethoxybenzyl ester

View entire compound with spectra: 1 NMR

Benzoic acid, 2-bromo-3,4,5-trimethoxy-, 3,5-dimethoxybenzyl ester
SpectraBase Compound ID EoNYOw7gfz1
InChI InChI=1S/C19H21BrO7/c1-22-12-6-11(7-13(8-12)23-2)10-27-19(21)14-9-15(24-3)17(25-4)18(26-5)16(14)20/h6-9H,10H2,1-5H3
InChIKey KKRAIPMSYVDRSX-UHFFFAOYSA-N
Mol Weight 441.27 g/mol
Molecular Formula C19H21BrO7
Exact Mass 440.047066 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 JWUO8VuLBtH
Name Benzoic acid, 2-bromo-3,4,5-trimethoxy-, 3,5-dimethoxybenzyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 440.047066009 u
Formula C19H21BrO7
InChI InChI=1S/C19H21BrO7/c1-22-12-6-11(7-13(8-12)23-2)10-27-19(21)14-9-15(24-3)17(25-4)18(26-5)16(14)20/h6-9H,10H2,1-5H3
InChIKey KKRAIPMSYVDRSX-UHFFFAOYSA-N
Molecular Weight 441.274 g/mol
SMILES C1(=CC(=C(C(=C1Br)OC)OC)OC)C(OCC1=CC(=CC(=C1)OC)OC)=O