| SpectraBase Compound ID | HsNfEMhQI9P |
|---|---|
| InChI | InChI=1S/C7H10S/c1-2-4-6-8-7-5-3-1/h2,4-7H2 |
| InChIKey | YLBQYBDCGPYELR-UHFFFAOYSA-N |
| Mol Weight | 126.22 g/mol |
| Molecular Formula | C7H10S |
| Exact Mass | 126.050321 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AzbETsqEChM |
|---|---|
| Name | 5,6-Didehydro-3,4,7,8-tetrahydro-2H-thiocin |
| Alternate Name(s) | 5-Thiacyclooctyne |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H10S |
| InChI | InChI=1S/C7H10S/c1-2-4-6-8-7-5-3-1/h2,4-7H2 |
| InChIKey | YLBQYBDCGPYELR-UHFFFAOYSA-N |
| Literature Reference DOI | 10.1002/hlca.201200260 |
| Molecular Weight | 126.217 g/mol |
| SMILES | C1SCCC#CCC1 |
| SPLASH | splash10-0002-9700000000-2220e52960148da020fc |
| Source of Spectrum | H-96-233-9 |
| Wiley ID | 1786267 |