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2-Bromo-3-(phenylethynyl)-2-cyclopenten-1-one

View entire compound with spectra: 1 FTIR

2-Bromo-3-(phenylethynyl)-2-cyclopenten-1-one
SpectraBase Compound ID DqQCwcx6Mus
InChI InChI=1S/C13H9BrO/c14-13-11(8-9-12(13)15)7-6-10-4-2-1-3-5-10/h1-5H,8-9H2
InChIKey GQANKGQKIWHWOG-UHFFFAOYSA-N
Mol Weight 261.12 g/mol
Molecular Formula C13H9BrO
Exact Mass 259.983678 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9hIEef7N4eB
Name 2-Bromo-3-(phenylethynyl)-2-cyclopenten-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 259.983677909 u
Formula C13H9BrO
InChI InChI=1S/C13H9BrO/c14-13-11(8-9-12(13)15)7-6-10-4-2-1-3-5-10/h1-5H,8-9H2
InChIKey GQANKGQKIWHWOG-UHFFFAOYSA-N
Molecular Weight 261.118 g/mol
SMILES C1CC(=O)C(=C1C#CC1=CC=CC=C1)Br
Spectrum/Structure Validation Score (Vapor Phase IR) 0.910206