| SpectraBase Compound ID | GGYSrV5CO5A |
|---|---|
| InChI | InChI=1S/C8H9ClN2S/c9-7-4-2-1-3-6(7)5-12-8(10)11/h1-4H,5H2,(H3,10,11) |
| InChIKey | SFKYKNIIEFCNBX-UHFFFAOYSA-N |
| Mol Weight | 200.69 g/mol |
| Molecular Formula | C8H9ClN2S |
| Exact Mass | 200.017497 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bh4YWIDjSUa |
|---|---|
| Name | Carbamimidothioic acid, (2-chlorophenyl)methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.017497172 u |
| Formula | C8H9ClN2S |
| InChI | InChI=1S/C8H9ClN2S/c9-7-4-2-1-3-6(7)5-12-8(10)11/h1-4H,5H2,(H3,10,11) |
| InChIKey | SFKYKNIIEFCNBX-UHFFFAOYSA-N |
| Molecular Weight | 200.687 g/mol |
| SMILES | C(N)(SCC1=C(C=CC=C1)Cl)=N |