| SpectraBase Compound ID | AYx3TFyxRQL |
|---|---|
| InChI | InChI=1S/C13H10S/c1-9-6-7-11-10-4-2-3-5-12(10)14-13(11)8-9/h2-8H,1H3 |
| InChIKey | URUCEYZTJIJMLX-UHFFFAOYSA-N |
| Mol Weight | 198.28 g/mol |
| Molecular Formula | C13H10S |
| Exact Mass | 198.050321 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JeTnWWnQ2hw |
|---|---|
| Name | Dibenzothiophene, 3-methyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.050321496 u |
| Formula | C13H10S |
| InChI | InChI=1S/C13H10S/c1-9-6-7-11-10-4-2-3-5-12(10)14-13(11)8-9/h2-8H,1H3 |
| InChIKey | URUCEYZTJIJMLX-UHFFFAOYSA-N |
| Molecular Weight | 198.283 g/mol |
| SMILES | C1(C)=CC2=C(C=C1)C1=CC=CC=C1S2 |