| SpectraBase Compound ID | DxllqRqSeRC |
|---|---|
| InChI | InChI=1S/C7H12N2OS/c1-4(2)5-6(10)9(3)7(11)8-5/h4-5H,1-3H3,(H,8,11) |
| InChIKey | IAXKKZRYHOTZMJ-UHFFFAOYSA-N |
| Mol Weight | 172.25 g/mol |
| Molecular Formula | C7H12N2OS |
| Exact Mass | 172.067034 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7sUbimuf5uK |
|---|---|
| Name | 1-Methyl-4-isopropylthiohydantoine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.067034187 u |
| Formula | C7H12N2OS |
| InChI | InChI=1S/C7H12N2OS/c1-4(2)5-6(10)9(3)7(11)8-5/h4-5H,1-3H3,(H,8,11) |
| InChIKey | IAXKKZRYHOTZMJ-UHFFFAOYSA-N |
| Molecular Weight | 172.246 g/mol |
| SMILES | C1(=O)N(C)C(=S)NC1C(C)C |