| SpectraBase Compound ID | DMrp0n8jXjs |
|---|---|
| InChI | InChI=1S/C9H10O3S/c1-7(10)8-3-5-9(6-4-8)13(2,11)12/h3-6H,1-2H3 |
| InChIKey | KAVZYDHKJNABPC-UHFFFAOYSA-N |
| Mol Weight | 198.24 g/mol |
| Molecular Formula | C9H10O3S |
| Exact Mass | 198.035065 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 7x6cP3T3FNO |
|---|---|
| Name | 4'-(Methylsulfonyl)acetophenone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.035065353 u |
| Formula | C9H10O3S |
| InChI | InChI=1S/C9H10O3S/c1-7(10)8-3-5-9(6-4-8)13(2,11)12/h3-6H,1-2H3 |
| InChIKey | KAVZYDHKJNABPC-UHFFFAOYSA-N |
| Molecular Weight | 198.236 g/mol |
| SMILES | C=1C(=CC=C(C1)S(=O)(=O)C)C(C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.955429 |