| SpectraBase Compound ID | 8J9cyvn5Ki7 |
|---|---|
| InChI | InChI=1S/C13H20N2S/c1-9-7-10(2)12(11(3)8-9)14-13(16-6)15(4)5/h7-8H,1-6H3/b14-13- |
| InChIKey | LVVIGRNXFKBLHG-YPKPFQOOSA-N |
| Mol Weight | 236.38 g/mol |
| Molecular Formula | C13H20N2S |
| Exact Mass | 236.13472 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9fkPxEBvh4n |
|---|---|
| Name | Isothiourea, 1,1,2-trimethyl-3-(2,4,6-trimethylphenyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.134719826 u |
| Formula | C13H20N2S |
| InChI | InChI=1S/C13H20N2S/c1-9-7-10(2)12(11(3)8-9)14-13(16-6)15(4)5/h7-8H,1-6H3/b14-13- |
| InChIKey | LVVIGRNXFKBLHG-YPKPFQOOSA-N |
| Molecular Weight | 236.377 g/mol |
| SMILES | CS\C(=N/C1=C(C=C(C=C1C)C)C)N(C)C |