| SpectraBase Spectrum ID |
5HFP71quACe |
| Name |
Benzene, [[2-bromo-3-chloro-1-(chloromethyl)propyl]thio]-, (R*,R*)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
311.914189928 u |
| Formula |
C10H11BrCl2S |
| InChI |
InChI=1S/C10H11BrCl2S/c11-9(6-12)10(7-13)14-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2/t9-,10+/m0/s1 |
| InChIKey |
HGOUHKACMQGEDW-VHSXEESVSA-N |
| Molecular Weight |
314.068 g/mol |
| SMILES |
[C@@](SC=1C=CC=CC1)([C@@](Br)(CCl)[H])(CCl)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.940761 |
![Benzene, [[2-bromo-3-chloro-1-(chloromethyl)propyl]thio]-, (R*,R*)-](/api/spectrum/5HFP71quACe/structure.png?h=300&w=458 "Benzene, [[2-bromo-3-chloro-1-(chloromethyl)propyl]thio]-, (R*,R*)-")
