SpectraBase Spectrum ID |
8z9rO9KuLQW |
Name |
1-Bromo-3,5-dichloro-2-(2,2-dibromo-3-chloropropyl)benzene |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
455.708522293 u |
Formula |
C9H6Br3Cl3 |
InChI |
InChI=1S/C9H6Br3Cl3/c10-7-1-5(14)2-8(15)6(7)3-9(11,12)4-13/h1-2H,3-4H2 |
InChIKey |
BPOFUCJCIANBHH-UHFFFAOYSA-N |
Molecular Weight |
460.218 g/mol |
SMILES |
C1(=CC(=C(C(=C1)Cl)CC(CCl)(Br)Br)Br)Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.968862 |