| SpectraBase Compound ID | BK9Vm2hZTDv |
|---|---|
| InChI | InChI=1S/C12H27NO3S2/c1-4-6-7-8-9-12(13-11(3)5-2)10-17-18(14,15)16/h11-13H,4-10H2,1-3H3,(H,14,15,16) |
| InChIKey | IGVSYVRDRZNRHH-UHFFFAOYSA-N |
| Mol Weight | 297.47 g/mol |
| Molecular Formula | C12H27NO3S2 |
| Exact Mass | 297.143236 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I6CGwPJY8sI |
|---|---|
| Name | 2-(Butan-2-ylamino)-1-(sulfothio)octane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 297.143236078 u |
| Formula | C12H27NO3S2 |
| InChI | InChI=1S/C12H27NO3S2/c1-4-6-7-8-9-12(13-11(3)5-2)10-17-18(14,15)16/h11-13H,4-10H2,1-3H3,(H,14,15,16) |
| InChIKey | IGVSYVRDRZNRHH-UHFFFAOYSA-N |
| Molecular Weight | 297.472 g/mol |
| SMILES | C(SS([O-])(=O)=O)C([NH2+]C(CC)C)CCCCCC |