SpectraBase Compound ID | FDYQ0pI5u6O |
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InChI | InChI=1S/C6H10Br2O2S/c1-4-5(7)6(2,8)3-11(4,9)10/h4-5H,3H2,1-2H3 |
InChIKey | RBBTYLRCTXWCBB-UHFFFAOYSA-N |
Mol Weight | 306.01 g/mol |
Molecular Formula | C6H10Br2O2S |
Exact Mass | 303.876827 g/mol |
SpectraBase Spectrum ID | HRtJNKhZS66 |
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Name | 3,4-Dibromo-2,4-dimethyltetrahydrothiophene, 1,1-dioxide |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 303.876826734 u |
Formula | C6H10Br2O2S |
InChI | InChI=1S/C6H10Br2O2S/c1-4-5(7)6(2,8)3-11(4,9)10/h4-5H,3H2,1-2H3 |
InChIKey | RBBTYLRCTXWCBB-UHFFFAOYSA-N |
Molecular Weight | 306.012 g/mol |
SMILES | C1S(C(C(C1(Br)C)Br)C)(=O)=O |
Spectrum/Structure Validation Score (Raman) | 0.717424 |