| SpectraBase Compound ID | 7BRnLrA7RR9 |
|---|---|
| InChI | InChI=1S/C7H6Cl2N2S/c8-4-1-2-6(5(9)3-4)11-7(10)12/h1-3H,(H3,10,11,12) |
| InChIKey | HSWCDFOASWNGOM-UHFFFAOYSA-N |
| Mol Weight | 221.1 g/mol |
| Molecular Formula | C7H6Cl2N2S |
| Exact Mass | 219.962875 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | FB84nqlpv6m |
|---|---|
| Name | 1-(2,4-Dichlorophenyl)-2-thiourea |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 219.962874775 u |
| Formula | C7H6Cl2N2S |
| InChI | InChI=1S/C7H6Cl2N2S/c8-4-1-2-6(5(9)3-4)11-7(10)12/h1-3H,(H3,10,11,12) |
| InChIKey | HSWCDFOASWNGOM-UHFFFAOYSA-N |
| SMILES | N(C1=CC=C(C=C1Cl)Cl)C(N)=S |
| Spectrum/Structure Validation Score (Raman) | 0.969833 |