| SpectraBase Compound ID | LBXi3gzKld1 |
|---|---|
| InChI | InChI=1S/C7H12OS/c1-7(9-2)4-3-6(8)5-7/h3-5H2,1-2H3 |
| InChIKey | JJXJVEHHWSIFAM-UHFFFAOYSA-N |
| Mol Weight | 144.23 g/mol |
| Molecular Formula | C7H12OS |
| Exact Mass | 144.060886 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GSsPAxkOEI8 |
|---|---|
| Name | 3-Methyl-3-(methylthio)cyclopentanone |
| Appearance | Yellow oil |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H12OS |
| InChI | InChI=1S/C7H12OS/c1-7(9-2)4-3-6(8)5-7/h3-5H2,1-2H3 |
| InChIKey | JJXJVEHHWSIFAM-UHFFFAOYSA-N |
| Ionization Type | EI |
| Molecular Weight | 144.232 g/mol |
| SMILES | C1C(=O)CCC1(C)SC |
| SPLASH | splash10-066v-9200000000-bb554ee3b0beecaf6108 |
| Source of Spectrum | AU2009283076A1 |
| Wiley ID | 1861419 |