![Tert-butyl 3-[(carbamothioylamino)imino]butanoate](/api/spectrum/1C3XiUvzZuP/structure.png?h=300&w=458 "Tert-butyl 3-[(carbamothioylamino)imino]butanoate")
| SpectraBase Compound ID | DIGvh06eNAU |
|---|---|
| InChI | InChI=1S/C9H17N3O2S/c1-6(11-12-8(10)15)5-7(13)14-9(2,3)4/h5H2,1-4H3,(H3,10,12,15)/b11-6+ |
| InChIKey | SCAJHYNNDJOTFP-IZZDOVSWSA-N |
| Mol Weight | 231.31 g/mol |
| Molecular Formula | C9H17N3O2S |
| Exact Mass | 231.104148 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 1C3XiUvzZuP |
|---|---|
| Name | Tert-butyl 3-[(carbamothioylamino)imino]butanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 231.104147971 u |
| Formula | C9H17N3O2S |
| InChI | InChI=1S/C9H17N3O2S/c1-6(11-12-8(10)15)5-7(13)14-9(2,3)4/h5H2,1-4H3,(H3,10,12,15)/b11-6+ |
| InChIKey | SCAJHYNNDJOTFP-IZZDOVSWSA-N |
| Molecular Weight | 231.314 g/mol |
| SMILES | C(N)(=S)N\N=C\(CC(OC(C)(C)C)=O)C |