![3-Sulfanilyl-8-thia-3-azabicyclo[3.2.1]octane](/api/spectrum/IxryobQNHiA/structure.png?h=300&w=458 "3-Sulfanilyl-8-thia-3-azabicyclo[3.2.1]octane")
| SpectraBase Compound ID | 1Srck8c0o1c |
|---|---|
| InChI | InChI=1S/C12H16N2O2S2/c13-9-1-5-12(6-2-9)18(15,16)14-7-10-3-4-11(8-14)17-10/h1-2,5-6,10-11H,3-4,7-8,13H2 |
| InChIKey | LIOFJVCOFGAPPE-UHFFFAOYSA-N |
| Mol Weight | 284.39 g/mol |
| Molecular Formula | C12H16N2O2S2 |
| Exact Mass | 284.06532 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IxryobQNHiA |
|---|---|
| Name | 3-Sulfanilyl-8-thia-3-azabicyclo[3.2.1]octane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.065320109 u |
| Formula | C12H16N2O2S2 |
| InChI | InChI=1S/C12H16N2O2S2/c13-9-1-5-12(6-2-9)18(15,16)14-7-10-3-4-11(8-14)17-10/h1-2,5-6,10-11H,3-4,7-8,13H2 |
| InChIKey | LIOFJVCOFGAPPE-UHFFFAOYSA-N |
| SMILES | NC1=CC=C(S(N2CC3CCC(C2)S3)(=O)=O)C=C1 |