| SpectraBase Compound ID | KiBq4FIe4V1 |
|---|---|
| InChI | InChI=1S/C9H16N2O2S/c1-13-9(14)11-8(12)10-7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H2,10,11,12,14) |
| InChIKey | XHZAFYGGYGFFDZ-UHFFFAOYSA-N |
| Mol Weight | 216.3 g/mol |
| Molecular Formula | C9H16N2O2S |
| Exact Mass | 216.093249 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2kwqjx8GAyQ |
|---|---|
| Name | o-Methyl (cyclohexylamino)carbonylthiocarbamate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.093248935 u |
| Formula | C9H16N2O2S |
| InChI | InChI=1S/C9H16N2O2S/c1-13-9(14)11-8(12)10-7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H2,10,11,12,14) |
| InChIKey | XHZAFYGGYGFFDZ-UHFFFAOYSA-N |
| SMILES | N(C(NC1CCCCC1)=O)C(=S)OC |