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

*Links on SpectraBase are not permalinks.

Glutaric acid, 3-methylbut-2-en-1-yl 4-bromo-2-methoxyphenyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Glutaric acid, 3-methylbut-2-en-1-yl 4-bromo-2-methoxyphenyl ester
SpectraBase Compound ID 1aauBge74vJ
InChI InChI=1S/C17H21BrO5/c1-12(2)9-10-22-16(19)5-4-6-17(20)23-14-8-7-13(18)11-15(14)21-3/h7-9,11H,4-6,10H2,1-3H3
InChIKey BTYZZBCXLBNKHY-UHFFFAOYSA-N
Mol Weight 385.25 g/mol
Molecular Formula C17H21BrO5
Exact Mass 384.057237 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 CVGJjIOL1NE
Name Glutaric acid, 3-methylbut-2-en-1-yl 4-bromo-2-methoxyphenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 384.057236771 u
Formula C17H21BrO5
InChI InChI=1S/C17H21BrO5/c1-12(2)9-10-22-16(19)5-4-6-17(20)23-14-8-7-13(18)11-15(14)21-3/h7-9,11H,4-6,10H2,1-3H3
InChIKey BTYZZBCXLBNKHY-UHFFFAOYSA-N
Molecular Weight 385.254 g/mol
SMILES C(CCC(OCC=C(C)C)=O)C(OC1=CC=C(C=C1OC)Br)=O