| SpectraBase Compound ID | 4vxJ3NRAMOf |
|---|---|
| InChI | InChI=1S/C13H19N3O2S2/c1-19-13(16-9-3-2-4-10-16)15-20(17,18)12-7-5-11(14)6-8-12/h5-8H,2-4,9-10,14H2,1H3/b15-13- |
| InChIKey | BNFTYSBVUMACNT-SQFISAMPSA-N |
| Mol Weight | 313.43 g/mol |
| Molecular Formula | C13H19N3O2S2 |
| Exact Mass | 313.091869 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EWZqSxmlipP |
|---|---|
| Name | Methyl N-sulfanilyl-1-piperidinecarboximidothioate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 313.091869210 u |
| Formula | C13H19N3O2S2 |
| InChI | InChI=1S/C13H19N3O2S2/c1-19-13(16-9-3-2-4-10-16)15-20(17,18)12-7-5-11(14)6-8-12/h5-8H,2-4,9-10,14H2,1H3/b15-13- |
| InChIKey | BNFTYSBVUMACNT-SQFISAMPSA-N |
| Molecular Weight | 313.434 g/mol |
| SMILES | C1=C(C=CC(=C1)N)S(=O)(=O)\N=C/(SC)N1CCCCC1 |