| SpectraBase Compound ID | CRwqyYMOrNt |
|---|---|
| InChI | InChI=1S/C12H18N2OS/c1-3-10(8-15)13-12(16)14-11-7-5-4-6-9(11)2/h4-7,10,15H,3,8H2,1-2H3,(H2,13,14,16) |
| InChIKey | IBZQFPVECCBLOJ-UHFFFAOYSA-N |
| Mol Weight | 238.35 g/mol |
| Molecular Formula | C12H18N2OS |
| Exact Mass | 238.113984 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AQn2aCZwBrL |
|---|---|
| Name | 1-(1-Hydroxymethyl-propyl)-3-o-tolyl-thiourea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 238.113984381 u |
| Formula | C12H18N2OS |
| InChI | InChI=1S/C12H18N2OS/c1-3-10(8-15)13-12(16)14-11-7-5-4-6-9(11)2/h4-7,10,15H,3,8H2,1-2H3,(H2,13,14,16) |
| InChIKey | IBZQFPVECCBLOJ-UHFFFAOYSA-N |
| Molecular Weight | 238.349 g/mol |
| SMILES | C(NC=1C(=CC=CC1)C)(NC(CC)CO)=S |