| SpectraBase Compound ID | FRxPM5okkdN |
|---|---|
| InChI | InChI=1S/C12H18N2S/c1-4-7-13-12(15)14-11-6-5-9(2)8-10(11)3/h5-6,8H,4,7H2,1-3H3,(H2,13,14,15) |
| InChIKey | AFOQGRQJWGQCMC-UHFFFAOYSA-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 | 44jsBFBRcDw |
|---|---|
| Name | N-(2,4-Dimethylphenyl)-N'-propylthiourea |
| 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/c1-4-7-13-12(15)14-11-6-5-9(2)8-10(11)3/h5-6,8H,4,7H2,1-3H3,(H2,13,14,15) |
| InChIKey | AFOQGRQJWGQCMC-UHFFFAOYSA-N |
| Molecular Weight | 222.350 g/mol |
| SMILES | C(NC1=C(C=C(C)C=C1)C)(=S)NCCC |