| SpectraBase Compound ID | 2GQbw7BSl8H |
|---|---|
| InChI | InChI=1S/C13H11Cl2N3S/c14-8-5-6-9(15)12(7-8)18-13(19)17-11-4-2-1-3-10(11)16/h1-7H,16H2,(H2,17,18,19) |
| InChIKey | NPCDCWWHFNXPMX-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 | 5Jo3mNvgDmO |
|---|---|
| Name | 2'-Amino-2,5-dichlorothiocarbanilide |
| 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/c14-8-5-6-9(15)12(7-8)18-13(19)17-11-4-2-1-3-10(11)16/h1-7H,16H2,(H2,17,18,19) |
| InChIKey | NPCDCWWHFNXPMX-UHFFFAOYSA-N |
| SMILES | NC1=C(C=CC=C1)NC(NC=1C(=CC=C(C1)Cl)Cl)=S |