| SpectraBase Compound ID | FsGR5v5g01q |
|---|---|
| InChI | InChI=1S/C11H12Cl2N2S/c1-7(2)6-14-11(16)15-8-3-4-9(12)10(13)5-8/h3-5H,1,6H2,2H3,(H2,14,15,16) |
| InChIKey | HPLGQMJJRQRAGM-UHFFFAOYSA-N |
| Mol Weight | 275.2 g/mol |
| Molecular Formula | C11H12Cl2N2S |
| Exact Mass | 274.009825 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DiJqMy34Tjz |
|---|---|
| Name | 1-(3,4-Dichlorophenyl)-3-(2-methylallyl)thiourea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.009824968 u |
| Formula | C11H12Cl2N2S |
| InChI | InChI=1S/C11H12Cl2N2S/c1-7(2)6-14-11(16)15-8-3-4-9(12)10(13)5-8/h3-5H,1,6H2,2H3,(H2,14,15,16) |
| InChIKey | HPLGQMJJRQRAGM-UHFFFAOYSA-N |
| SMILES | C=C(CNC(NC1=CC(=C(C=C1)Cl)Cl)=S)C |