![1-(p-Chlorophenyl)-2-thio-3-[2-(3,4,5-tribromopyrazol-1-yl)ethyl]urea](/api/spectrum/9kaxvtqXyJo/structure.png?h=300&w=458 "1-(p-Chlorophenyl)-2-thio-3-[2-(3,4,5-tribromopyrazol-1-yl)ethyl]urea")
| SpectraBase Compound ID | JceNJ7KTFDa |
|---|---|
| InChI | InChI=1S/C12H10Br3ClN4S/c13-9-10(14)19-20(11(9)15)6-5-17-12(21)18-8-3-1-7(16)2-4-8/h1-4H,5-6H2,(H2,17,18,21) |
| InChIKey | CYZFFZKUHVQVEZ-UHFFFAOYSA-N |
| Mol Weight | 517.47 g/mol |
| Molecular Formula | C12H10Br3ClN4S |
| Exact Mass | 513.786484 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9kaxvtqXyJo |
|---|---|
| Name | 1-(p-Chlorophenyl)-2-thio-3-[2-(3,4,5-tribromopyrazol-1-yl)ethyl]urea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 513.786484212 u |
| Formula | C12H10Br3ClN4S |
| InChI | InChI=1S/C12H10Br3ClN4S/c13-9-10(14)19-20(11(9)15)6-5-17-12(21)18-8-3-1-7(16)2-4-8/h1-4H,5-6H2,(H2,17,18,21) |
| InChIKey | CYZFFZKUHVQVEZ-UHFFFAOYSA-N |
| SMILES | N(C(=S)NCCN1C(Br)=C(C(Br)=N1)Br)C=1C=CC(=CC1)Cl |