| SpectraBase Compound ID | FzhZG0G23A |
|---|---|
| InChI | InChI=1S/C10H12BrClN2OS/c11-7-2-3-9(8(12)6-7)14-10(16)13-4-1-5-15/h2-3,6,15H,1,4-5H2,(H2,13,14,16) |
| InChIKey | YRUURWGGCQFCEC-UHFFFAOYSA-N |
| Mol Weight | 323.64 g/mol |
| Molecular Formula | C10H12BrClN2OS |
| Exact Mass | 321.954225 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7dBBVjh1Tqp |
|---|---|
| Name | 1-(4-Bromo-2-chlorophenyl)-3-(3-hydroxypropyl)-2-thiourea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 321.954224887 u |
| Formula | C10H12BrClN2OS |
| InChI | InChI=1S/C10H12BrClN2OS/c11-7-2-3-9(8(12)6-7)14-10(16)13-4-1-5-15/h2-3,6,15H,1,4-5H2,(H2,13,14,16) |
| InChIKey | YRUURWGGCQFCEC-UHFFFAOYSA-N |
| Molecular Weight | 323.636 g/mol |
| SMILES | N(C1=C(C=C(C=C1)Br)Cl)C(NCCCO)=S |