| SpectraBase Spectrum ID |
2BGW2a2zLOe |
| Name |
4-(2',4'-Dibromophenoxy)-3,5-dibromophenol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
497.710131431 u |
| Formula |
C12H6Br4O2 |
| InChI |
InChI=1S/C12H6Br4O2/c13-6-1-2-11(8(14)3-6)18-12-9(15)4-7(17)5-10(12)16/h1-5,17H |
| InChIKey |
PRBICONJEBJVQJ-UHFFFAOYSA-N |
| Molecular Weight |
501.794 g/mol |
| SMILES |
C1(OC=2C(=CC(=CC2)Br)Br)=C(C=C(C=C1Br)O)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943151 |
