| SpectraBase Compound ID | 3w7mpmj6xq8 |
|---|---|
| InChI | InChI=1S/C8H8ClNS/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H2,10,11) |
| InChIKey | QHCDYIRWTPEABF-UHFFFAOYSA-N |
| Mol Weight | 185.67 g/mol |
| Molecular Formula | C8H8ClNS |
| Exact Mass | 185.006598 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1OhpMRiZdWN |
|---|---|
| Name | 2-(4-Chlorophenyl)thioacetamide; benzeneethanethioamide, 4-chloro- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 185.006598136 u |
| Formula | C8H8ClNS |
| InChI | InChI=1S/C8H8ClNS/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H2,10,11) |
| InChIKey | QHCDYIRWTPEABF-UHFFFAOYSA-N |
| SMILES | NC(CC1=CC=C(C=C1)Cl)=S |