![Propan-2-yl 3-[(carbamothioylamino)imino]butanoate](/api/spectrum/377FTS7Y4oM/structure.png?h=300&w=458 "Propan-2-yl 3-[(carbamothioylamino)imino]butanoate")
| SpectraBase Compound ID | AIWC8psBK5r |
|---|---|
| InChI | InChI=1S/C8H15N3O2S/c1-5(2)13-7(12)4-6(3)10-11-8(9)14/h5H,4H2,1-3H3,(H3,9,11,14)/b10-6+ |
| InChIKey | HANGULZXJKURHJ-UXBLZVDNSA-N |
| Mol Weight | 217.29 g/mol |
| Molecular Formula | C8H15N3O2S |
| Exact Mass | 217.088498 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 377FTS7Y4oM |
|---|---|
| Name | Propan-2-yl 3-[(carbamothioylamino)imino]butanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 217.088497907 u |
| Formula | C8H15N3O2S |
| InChI | InChI=1S/C8H15N3O2S/c1-5(2)13-7(12)4-6(3)10-11-8(9)14/h5H,4H2,1-3H3,(H3,9,11,14)/b10-6+ |
| InChIKey | HANGULZXJKURHJ-UXBLZVDNSA-N |
| Molecular Weight | 217.287 g/mol |
| SMILES | C(OC(C\C(=N\NC(N)=S)C)=O)(C)C |