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

*Links on SpectraBase are not permalinks.
Benzoic acid, 2-bromo-, [2-(4-methoxyphenyl)-2-oxo]ethyl ester
SpectraBase Compound ID 8N1HuOywdt1
InChI InChI=1S/C16H13BrO4/c1-20-12-8-6-11(7-9-12)15(18)10-21-16(19)13-4-2-3-5-14(13)17/h2-9H,10H2,1H3
InChIKey DVQQOBJNGMGWON-UHFFFAOYSA-N
Mol Weight 349.18 g/mol
Molecular Formula C16H13BrO4
Exact Mass 347.999722 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 JN16CVoB6zm
Name Benzoic acid, 2-bromo-, [2-(4-methoxyphenyl)-2-oxo]ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 347.999721895 u
Formula C16H13BrO4
InChI InChI=1S/C16H13BrO4/c1-20-12-8-6-11(7-9-12)15(18)10-21-16(19)13-4-2-3-5-14(13)17/h2-9H,10H2,1H3
InChIKey DVQQOBJNGMGWON-UHFFFAOYSA-N
Molecular Weight 349.180 g/mol
SMILES C1(C(OCC(C2=CC=C(OC)C=C2)=O)=O)=C(Br)C=CC=C1