| SpectraBase Spectrum ID |
IMj39H4bZ3l |
| Name |
1,2-Dibromo-2-methyl-3-tosylpropane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
367.908126863 u |
| Formula |
C11H14Br2O2S |
| InChI |
InChI=1S/C11H14Br2O2S/c1-9-3-5-10(6-4-9)16(14,15)8-11(2,13)7-12/h3-6H,7-8H2,1-2H3 |
| InChIKey |
LGLGNGFWNLVKGF-UHFFFAOYSA-N |
| Molecular Weight |
370.099 g/mol |
| SMILES |
C(S(C=1C=CC(=CC1)C)(=O)=O)C(Br)(CBr)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.828774 |
