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

*Links on SpectraBase are not permalinks.

Glutaric acid, 5-bromo-2-methoxybenzyl 2-methylhex-3-yl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 5-bromo-2-methoxybenzyl 2-methylhex-3-yl ester
SpectraBase Compound ID AddnIpMdB5l
InChI InChI=1S/C20H29BrO5/c1-5-7-17(14(2)3)26-20(23)9-6-8-19(22)25-13-15-12-16(21)10-11-18(15)24-4/h10-12,14,17H,5-9,13H2,1-4H3
InChIKey CRYSUPODMQQHPK-UHFFFAOYSA-N
Mol Weight 429.35 g/mol
Molecular Formula C20H29BrO5
Exact Mass 428.119837 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 8GijgXyhIfR
Name Glutaric acid, 5-bromo-2-methoxybenzyl 2-methylhex-3-yl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 428.119837029 u
Formula C20H29BrO5
InChI InChI=1S/C20H29BrO5/c1-5-7-17(14(2)3)26-20(23)9-6-8-19(22)25-13-15-12-16(21)10-11-18(15)24-4/h10-12,14,17H,5-9,13H2,1-4H3
InChIKey CRYSUPODMQQHPK-UHFFFAOYSA-N
Molecular Weight 429.351 g/mol
SMILES C(OCC=1C=C(C=CC1OC)Br)(=O)CCCC(OC(CCC)C(C)C)=O