![(5S)-2-Methyltho-3-thia-1-azabicyclo[3.3.0]oct-1-en-1-ium iodide](/api/spectrum/Du9eXUiKfSf/structure.png?h=300&w=458 "(5S)-2-Methyltho-3-thia-1-azabicyclo[3.3.0]oct-1-en-1-ium iodide")
| SpectraBase Compound ID | 96A95ge97mR |
|---|---|
| InChI | InChI=1S/C7H12NS2.HI/c1-9-7-8-4-2-3-6(8)5-10-7;/h6H,2-5H2,1H3;1H/q+1;/p-1/t6-;/m0./s1 |
| InChIKey | WFISEBZYJPEQOD-RGMNGODLSA-M |
| Mol Weight | 301.2 g/mol |
| Molecular Formula | C7H12INS2 |
| Exact Mass | 300.945587 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Du9eXUiKfSf |
|---|---|
| Name | (5S)-2-Methyltho-3-thia-1-azabicyclo[3.3.0]oct-1-en-1-ium iodide |
| Alternate Name(s) | 3-(methylsulfanyl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazol-4-ium iodide (7aS)-3-methylsulfanyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]thiazol-4-ium;iodide (7aS)-3-methylsulfanyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazol-4-ium;iodide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H12INS2 |
| InChI | InChI=1S/C7H12NS2.HI/c1-9-7-8-4-2-3-6(8)5-10-7;/h6H,2-5H2,1H3;1H/q+1;/p-1/t6-;/m0./s1 |
| InChIKey | WFISEBZYJPEQOD-RGMNGODLSA-M |
| Molecular Weight | 301.204 g/mol |
| SMILES | [I-].C1(=[N+]2[C@](CS1)(CCC2)[H])SC |
| SPLASH | splash10-014i-9400000000-e01a2a97f88c27c44316 |
| Source of Spectrum | KC-0-2143-14 |
| Wiley ID | 822941 |