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

*Links on SpectraBase are not permalinks.

1-(4-Bromophenyl)pyrene

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

1-(4-Bromophenyl)pyrene
SpectraBase Compound ID 2UeuRu6G65b
InChI InChI=1S/C22H13Br/c23-18-10-6-14(7-11-18)19-12-8-17-5-4-15-2-1-3-16-9-13-20(19)22(17)21(15)16/h1-13H
InChIKey ASTYOSSWOHFFQV-UHFFFAOYSA-N
Mol Weight 357.25 g/mol
Molecular Formula C22H13Br
Exact Mass 356.020063 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 5KTudmwd0zA
Name 1-(4-Bromophenyl)pyrene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 356.020063419 u
Formula C22H13Br
InChI InChI=1S/C22H13Br/c23-18-10-6-14(7-11-18)19-12-8-17-5-4-15-2-1-3-16-9-13-20(19)22(17)21(15)16/h1-13H
InChIKey ASTYOSSWOHFFQV-UHFFFAOYSA-N
Molecular Weight 357.250 g/mol
SMILES C=12C3=C4C(C=CC=C4C=C2)=CC=C3C=CC1C=1C=CC(=CC1)Br
Spectrum/Structure Validation Score (Vapor Phase IR) 0.927222