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

*Links on SpectraBase are not permalinks.

2-Bromo-1,4-dimethoxy-3-(phenylethynyl)benzene

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

2-Bromo-1,4-dimethoxy-3-(phenylethynyl)benzene
SpectraBase Compound ID BB64ECg7qOZ
InChI InChI=1S/C16H13BrO2/c1-18-14-10-11-15(19-2)16(17)13(14)9-8-12-6-4-3-5-7-12/h3-7,10-11H,1-2H3
InChIKey FNMTWJZDDPOUBT-UHFFFAOYSA-N
Mol Weight 317.18 g/mol
Molecular Formula C16H13BrO2
Exact Mass 316.009893 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

Subscribe to view the full spectrum.

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

SpectraBase Spectrum ID KtaXR3Rq5I3
Name 2-Bromo-3-(phenylethynyl)-1,4-dimethoxybenzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 316.009892657 u
Formula C16H13BrO2
InChI InChI=1S/C16H13BrO2/c1-18-14-10-11-15(19-2)16(17)13(14)9-8-12-6-4-3-5-7-12/h3-7,10-11H,1-2H3
InChIKey FNMTWJZDDPOUBT-UHFFFAOYSA-N
Molecular Weight 317.182 g/mol
SMILES C=1C(OC)=C(C(Br)=C(C1)OC)C#CC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.867578