| SpectraBase Compound ID | 5Gm47YKhjuV |
|---|---|
| InChI | InChI=1S/C16H16S2/c1-2-3-7-12-8-6-11-15-16(12)18-14-10-5-4-9-13(14)17-15/h4-6,8-11H,2-3,7H2,1H3 |
| InChIKey | JYNTWOBSPQLOEK-UHFFFAOYSA-N |
| Mol Weight | 272.42 g/mol |
| Molecular Formula | C16H16S2 |
| Exact Mass | 272.069343 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Aztfp7L2EPQ |
|---|---|
| Name | 1-Butyl-thianthrene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H16S2 |
| InChI | InChI=1S/C16H16S2/c1-2-3-7-12-8-6-11-15-16(12)18-14-10-5-4-9-13(14)17-15/h4-6,8-11H,2-3,7H2,1H3 |
| InChIKey | JYNTWOBSPQLOEK-UHFFFAOYSA-N |
| Molecular Weight | 272.424 g/mol |
| SMILES | c12Sc3c(Sc2cccc1CCCC)cccc3 |
| SPLASH | splash10-0097-8590000000-e210c241f8443cb1c48c |
| Source of Spectrum | J-54-1626-3 |
| Wiley ID | 1276307 |