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

*Links on SpectraBase are not permalinks.

3,5-Bis(bromomethyl)-2,6-diphenylpyran-4-one

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

3,5-Bis(bromomethyl)-2,6-diphenylpyran-4-one
SpectraBase Compound ID 6kS9oV9LgVb
InChI InChI=1S/C19H14Br2O2/c20-11-15-17(22)16(12-21)19(14-9-5-2-6-10-14)23-18(15)13-7-3-1-4-8-13/h1-10H,11-12H2
InChIKey PCNXWTXETZXIAZ-UHFFFAOYSA-N
Mol Weight 434.13 g/mol
Molecular Formula C19H14Br2O2
Exact Mass 431.936056 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 Gbhhjl7M3xF
Name 3,5-bis(Bromomethyl)-2,6-diphenylpyran-4-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 431.936055689 u
Formula C19H14Br2O2
InChI InChI=1S/C19H14Br2O2/c20-11-15-17(22)16(12-21)19(14-9-5-2-6-10-14)23-18(15)13-7-3-1-4-8-13/h1-10H,11-12H2
InChIKey PCNXWTXETZXIAZ-UHFFFAOYSA-N
Molecular Weight 434.127 g/mol
SMILES C=1C=C(C=2OC(=C(C(C2CBr)=O)CBr)C2=CC=CC=C2)C=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.810656