| SpectraBase Compound ID | 2mHrZGG3wXx |
|---|---|
| InChI | InChI=1S/C9H9NO2S/c1-13(11,12)10-7-6-8-4-2-3-5-9(8)10/h2-7H,1H3 |
| InChIKey | WBXVUMOSSJDPAN-UHFFFAOYSA-N |
| Mol Weight | 195.24 g/mol |
| Molecular Formula | C9H9NO2S |
| Exact Mass | 195.0354 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8OYw1aqMAu9 |
|---|---|
| Name | 1-Methylsulfonylindole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 195.035399706 u |
| Formula | C9H9NO2S |
| InChI | InChI=1S/C9H9NO2S/c1-13(11,12)10-7-6-8-4-2-3-5-9(8)10/h2-7H,1H3 |
| InChIKey | WBXVUMOSSJDPAN-UHFFFAOYSA-N |
| Molecular Weight | 195.236 g/mol |
| SMILES | C=12N(S(=O)(=O)C)C=CC2=CC=CC1 |