| SpectraBase Compound ID | 8sfQka3e9kC |
|---|---|
| InChI | InChI=1S/C7H6ClN3O2S/c8-5-3-4(11(12)13)1-2-6(5)14-7(9)10/h1-3H,(H3,9,10) |
| InChIKey | TUFPHAVRIOCSHB-UHFFFAOYSA-N |
| Mol Weight | 231.66 g/mol |
| Molecular Formula | C7H6ClN3O2S |
| Exact Mass | 230.986925 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IbQTLSAHliA |
|---|---|
| Name | 2-(2-Chloro-4-nitrophenyl)-2-thiopseudourea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 230.986925317 u |
| Formula | C7H6ClN3O2S |
| InChI | InChI=1S/C7H6ClN3O2S/c8-5-3-4(11(12)13)1-2-6(5)14-7(9)10/h1-3H,(H3,9,10) |
| InChIKey | TUFPHAVRIOCSHB-UHFFFAOYSA-N |
| SMILES | N=C(SC1=CC=C(C=C1Cl)N(=O)=O)N |