| SpectraBase Compound ID | 8ejzXjPs2sX |
|---|---|
| InChI | InChI=1S/C10H11Cl3N2OS/c11-6-4-8(13)9(5-7(6)12)15-10(17)14-2-1-3-16/h4-5,16H,1-3H2,(H2,14,15,17) |
| InChIKey | IVGYAVMVJIHESQ-UHFFFAOYSA-N |
| Mol Weight | 313.63 g/mol |
| Molecular Formula | C10H11Cl3N2OS |
| Exact Mass | 311.965767 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6czsYJa1U4u |
|---|---|
| Name | 1-(3-Hydroxypropyl)-2-thio-3-(2,4,5-trichlorophenyl)urea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 311.965767255 u |
| Formula | C10H11Cl3N2OS |
| InChI | InChI=1S/C10H11Cl3N2OS/c11-6-4-8(13)9(5-7(6)12)15-10(17)14-2-1-3-16/h4-5,16H,1-3H2,(H2,14,15,17) |
| InChIKey | IVGYAVMVJIHESQ-UHFFFAOYSA-N |
| Molecular Weight | 313.630 g/mol |
| SMILES | N(C1=CC(=C(C=C1Cl)Cl)Cl)C(NCCCO)=S |