| SpectraBase Compound ID | DgHN3DwhDD7 |
|---|---|
| InChI | InChI=1S/C12H18N2S/c1-9-7-6-8-10(2)11(9)13-12(15-5)14(3)4/h6-8H,1-5H3/b13-12- |
| InChIKey | ZZYPENLWVJIPOY-SEYXRHQNSA-N |
| Mol Weight | 222.35 g/mol |
| Molecular Formula | C12H18N2S |
| Exact Mass | 222.11907 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1aSIp6mQgOH |
|---|---|
| Name | Isothiourea, 1,1,2-trimethyl-3(2,6-dimethylphenyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.119069762 u |
| Formula | C12H18N2S |
| InChI | InChI=1S/C12H18N2S/c1-9-7-6-8-10(2)11(9)13-12(15-5)14(3)4/h6-8H,1-5H3/b13-12- |
| InChIKey | ZZYPENLWVJIPOY-SEYXRHQNSA-N |
| Molecular Weight | 222.350 g/mol |
| SMILES | CS\C(=N/C1=C(C)C=CC=C1C)N(C)C |