SpectraBase Spectrum ID |
Lm5AiAwV248 |
Name |
2,3,4-Tribromo-6-[2'-hydroxy-3'-bromophenoxy]phenol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
513.705046050 u |
Formula |
C12H6Br4O3 |
InChI |
InChI=1S/C12H6Br4O3/c13-5-2-1-3-7(11(5)17)19-8-4-6(14)9(15)10(16)12(8)18/h1-4,17-18H |
InChIKey |
GCUQVFZXBPPQHB-UHFFFAOYSA-N |
Molecular Weight |
517.793 g/mol |
SMILES |
C1(=C(C(=CC(=C1Br)Br)OC=1C(=C(Br)C=CC1)O)O)Br |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.920665 |