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

*Links on SpectraBase are not permalinks.

3-(4-Bromophenyl)-1,5-diphenyl-pentane-1,5-dione

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

3-(4-Bromophenyl)-1,5-diphenyl-pentane-1,5-dione
SpectraBase Compound ID GmbgrchxZeG
InChI InChI=1S/C23H19BrO2/c24-21-13-11-17(12-14-21)20(15-22(25)18-7-3-1-4-8-18)16-23(26)19-9-5-2-6-10-19/h1-14,20H,15-16H2
InChIKey YNAYAUXKFYCIIN-UHFFFAOYSA-N
Mol Weight 407.31 g/mol
Molecular Formula C23H19BrO2
Exact Mass 406.056843 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 3VV9UmsAC82
Name 3-(4-Bromophenyl)-1,5-diphenyl-pentane-1,5-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 406.056842850 u
Formula C23H19BrO2
InChI InChI=1S/C23H19BrO2/c24-21-13-11-17(12-14-21)20(15-22(25)18-7-3-1-4-8-18)16-23(26)19-9-5-2-6-10-19/h1-14,20H,15-16H2
InChIKey YNAYAUXKFYCIIN-UHFFFAOYSA-N
Molecular Weight 407.307 g/mol
SMILES C1=CC(=CC=C1)C(CC(C1=CC=C(C=C1)Br)CC(C1=CC=CC=C1)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.903316