| SpectraBase Compound ID | 5q4oAhKERGy |
|---|---|
| InChI | InChI=1S/C12H12N2OS/c1-8-10(7-15)12(14(2)13-8)9-5-3-4-6-11(9)16/h3-7,16H,1-2H3 |
| InChIKey | WFZARAJPFUCQMB-UHFFFAOYSA-N |
| Mol Weight | 232.3 g/mol |
| Molecular Formula | C12H12N2OS |
| Exact Mass | 232.067034 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9MaLv74O9fL |
|---|---|
| Name | 5-(2'-Thiophenol)-1,3-dimethyl-4-formylpyrazole |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H12N2OS |
| InChI | InChI=1S/C12H12N2OS/c1-8-10(7-15)12(14(2)13-8)9-5-3-4-6-11(9)16/h3-7,16H,1-2H3 |
| InChIKey | WFZARAJPFUCQMB-UHFFFAOYSA-N |
| Molecular Weight | 232.301 g/mol |
| SMILES | Sc1c(-c2[n](nc(c2C=O)C)C)cccc1 |
| SPLASH | splash10-0udi-0290000000-8f5707db6d9c66cea071 |
| Source of Spectrum | MZ-34-1547-14 |
| Wiley ID | 1582250 |