| SpectraBase Compound ID | B9A21s11qrU |
|---|---|
| InChI | InChI=1S/C8H17N3O2S/c1-10-6(7(12)13)4-2-3-5-11-8(9)14/h6,10H,2-5H2,1H3,(H,12,13)(H3,9,11,14) |
| InChIKey | LETUEDUMZGYRFU-UHFFFAOYSA-N |
| Mol Weight | 219.3 g/mol |
| Molecular Formula | C8H17N3O2S |
| Exact Mass | 219.104148 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5yHXZxOGPAt |
|---|---|
| Name | Lysine N-methylthiourea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 219.104147971 u |
| Formula | C8H17N3O2S |
| InChI | InChI=1S/C8H17N3O2S/c1-10-6(7(12)13)4-2-3-5-11-8(9)14/h6,10H,2-5H2,1H3,(H,12,13)(H3,9,11,14) |
| InChIKey | LETUEDUMZGYRFU-UHFFFAOYSA-N |
| Molecular Weight | 219.303 g/mol |
| SMILES | C(=S)(NCCCCC(C(=O)O)NC)N |