| SpectraBase Compound ID | FrAx2GWgapl |
|---|---|
| InChI | InChI=1S/C8H11NOS/c1-2-7-11-8-5-3-4-6-9(8)10/h3-6H,2,7H2,1H3 |
| InChIKey | FSYBBQQYGLKOKE-UHFFFAOYSA-N |
| Mol Weight | 169.24 g/mol |
| Molecular Formula | C8H11NOS |
| Exact Mass | 169.056135 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FqHK9eEI1w6 |
|---|---|
| Name | 1-Oxidanidyl-2-propylsulfanyl-pyridin-1-ium |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 169.056135151 u |
| Formula | C8H11NOS |
| InChI | InChI=1S/C8H11NOS/c1-2-7-11-8-5-3-4-6-9(8)10/h3-6H,2,7H2,1H3 |
| InChIKey | FSYBBQQYGLKOKE-UHFFFAOYSA-N |
| Molecular Weight | 169.242 g/mol |
| SMILES | C1(=[N+](C=CC=C1)[O-])SCCC |