| SpectraBase Compound ID | KFIA60u9em8 |
|---|---|
| InChI | InChI=1S/C14H12ClNS/c1-17-14(11-5-3-2-4-6-11)16-13-9-7-12(15)8-10-13/h2-10H,1H3/b16-14- |
| InChIKey | YWQCZBXDBWNSMY-PEZBUJJGSA-N |
| Mol Weight | 261.77 g/mol |
| Molecular Formula | C14H12ClNS |
| Exact Mass | 261.037898 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6dFVzQ9MPYb |
|---|---|
| Name | N-(4-Chlorophenyl)benzenecarboximidothioic acid, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 261.037898264 u |
| Formula | C14H12ClNS |
| InChI | InChI=1S/C14H12ClNS/c1-17-14(11-5-3-2-4-6-11)16-13-9-7-12(15)8-10-13/h2-10H,1H3/b16-14- |
| InChIKey | YWQCZBXDBWNSMY-PEZBUJJGSA-N |
| SMILES | C1(\N=C\(SC)C2=CC=CC=C2)=CC=C(C=C1)Cl |