| SpectraBase Compound ID | KOreOctcYxM |
|---|---|
| InChI | InChI=1S/C7H12S/c1-3-7-4-2-6(1)5-8-7/h6-7H,1-5H2/t6-,7+ |
| InChIKey | GMOFDANHMUHNBP-UHFFFAOYSA-N |
| Mol Weight | 128.23 g/mol |
| Molecular Formula | C7H12S |
| Exact Mass | 128.065972 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IKHJHhdpCfx |
|---|---|
| Name | 2-Thiabicyclo[2.2.2]octane |
| CAS Registry Number | 280-41-1 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H12S |
| InChI | InChI=1S/C7H12S/c1-3-7-4-2-6(1)5-8-7/h6-7H,1-5H2 |
| InChIKey | GMOFDANHMUHNBP-UHFFFAOYSA-N |
| Molecular Weight | 128.233 g/mol |
| SMILES | C12SCC(CC2)CC1 |
| SPLASH | splash10-004l-9200000000-c3a98a8d55268ef05610 |
| Source of Spectrum | JX-2015-6-5169 |
| Synonyms | 3-Thiabicyclo[2.2.2]octane 2-Thiabicyclo(2.2.2)octane |
| Wiley ID | 1729045 |