| SpectraBase Compound ID | AiHjcFbHJij |
|---|---|
| InChI | InChI=1S/C13H10S2/c1-9-5-4-8-12-13(9)15-11-7-3-2-6-10(11)14-12/h2-8H,1H3 |
| InChIKey | LEIKPMFRIYWHKW-UHFFFAOYSA-N |
| Mol Weight | 230.34 g/mol |
| Molecular Formula | C13H10S2 |
| Exact Mass | 230.022393 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2h8H4ukdzRY |
|---|---|
| Name | 1-Methylthianthrene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H10S2 |
| InChI | InChI=1S/C13H10S2/c1-9-5-4-8-12-13(9)15-11-7-3-2-6-10(11)14-12/h2-8H,1H3 |
| InChIKey | LEIKPMFRIYWHKW-UHFFFAOYSA-N |
| Molecular Weight | 230.343 g/mol |
| SMILES | c12Sc3c(Sc2cccc1C)cccc3 |
| SPLASH | splash10-001j-1690000000-68420c9269d099930841 |
| Source of Spectrum | J-54-1626-3 |
| Wiley ID | 1231774 |