| SpectraBase Compound ID | G4I3ltYTfQp |
|---|---|
| InChI | InChI=1S/C14H9Cl2N3S/c15-10-4-5-12(16)13(7-10)19-14(20)18-11-3-1-2-9(6-11)8-17/h1-7H,(H2,18,19,20) |
| InChIKey | ITWQPHQXBQXNLN-UHFFFAOYSA-N |
| Mol Weight | 322.21 g/mol |
| Molecular Formula | C14H9Cl2N3S |
| Exact Mass | 320.989424 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AxdaFBPdSbz |
|---|---|
| Name | 3'-Cyano-2,5-dichlorothiocarbanilide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.989423876 u |
| Formula | C14H9Cl2N3S |
| InChI | InChI=1S/C14H9Cl2N3S/c15-10-4-5-12(16)13(7-10)19-14(20)18-11-3-1-2-9(6-11)8-17/h1-7H,(H2,18,19,20) |
| InChIKey | ITWQPHQXBQXNLN-UHFFFAOYSA-N |
| Molecular Weight | 322.213 g/mol |
| SMILES | N(C1=CC=CC(=C1)C#N)C(NC=1C(=CC=C(C1)Cl)Cl)=S |