| SpectraBase Compound ID | JOvckUSmjnz |
|---|---|
| InChI | InChI=1S/C7H7BrOS/c1-10(9)7-4-2-6(8)3-5-7/h2-5H,1H3 |
| InChIKey | MPOPDYTWAYBUOD-UHFFFAOYSA-N |
| Mol Weight | 219.1 g/mol |
| Molecular Formula | C7H7BrOS |
| Exact Mass | 217.940099 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | KKIJA6oAetj |
|---|---|
| Name | p-Bromophenyl methyl sulfoxide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 217.940099018 u |
| Formula | C7H7BrOS |
| InChI | InChI=1S/C7H7BrOS/c1-10(9)7-4-2-6(8)3-5-7/h2-5H,1H3 |
| InChIKey | MPOPDYTWAYBUOD-UHFFFAOYSA-N |
| Molecular Weight | 219.096 g/mol |
| SMILES | C=1C(=CC=C(C1)Br)S(C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.767678 |