| SpectraBase Compound ID | 541AEjTP4Zn |
|---|---|
| InChI | InChI=1S/C13H11Cl2N3S/c14-11-4-3-10(6-12(11)15)18-13(19)17-8-9-2-1-5-16-7-9/h1-7H,8H2,(H2,17,18,19) |
| InChIKey | LIJQCIJGALPOPS-UHFFFAOYSA-N |
| Mol Weight | 312.22 g/mol |
| Molecular Formula | C13H11Cl2N3S |
| Exact Mass | 311.005074 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EyKWYt2Jwwv |
|---|---|
| Name | N-(3,4-Dichlorophenyl)-N'-(3-pyridinylmethyl)thiourea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 311.005073940 u |
| Formula | C13H11Cl2N3S |
| InChI | InChI=1S/C13H11Cl2N3S/c14-11-4-3-10(6-12(11)15)18-13(19)17-8-9-2-1-5-16-7-9/h1-7H,8H2,(H2,17,18,19) |
| InChIKey | LIJQCIJGALPOPS-UHFFFAOYSA-N |
| Molecular Weight | 312.218 g/mol |
| SMILES | N(C(=S)NCC=1C=NC=CC1)C1=CC(Cl)=C(C=C1)Cl |