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

*Links on SpectraBase are not permalinks.

1,4-Bis(2-bromophenyl)-2-butyne-1,4-dione

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

1,4-Bis(2-bromophenyl)-2-butyne-1,4-dione
SpectraBase Compound ID PicHDTuV6D
InChI InChI=1S/C16H8Br2O2/c17-13-7-3-1-5-11(13)15(19)9-10-16(20)12-6-2-4-8-14(12)18/h1-8H
InChIKey XHDMRLHJIYQQSX-UHFFFAOYSA-N
Mol Weight 392.05 g/mol
Molecular Formula C16H8Br2O2
Exact Mass 389.889105 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 8Gqi68XqISa
Name 1,4-bis(2-Bromophenyl)-2-butyne-1,4-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 389.889105496 u
Formula C16H8Br2O2
InChI InChI=1S/C16H8Br2O2/c17-13-7-3-1-5-11(13)15(19)9-10-16(20)12-6-2-4-8-14(12)18/h1-8H
InChIKey XHDMRLHJIYQQSX-UHFFFAOYSA-N
Molecular Weight 392.046 g/mol
SMILES C(#CC(C=1C(Br)=CC=CC1)=O)C(C=1C(Br)=CC=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.935723