![Ethyl 4-{[(ethylamino)carbothioyl]amino}benzoate](/api/spectrum/CfN0dkK0Doo/structure.png?h=300&w=458 "Ethyl 4-{[(ethylamino)carbothioyl]amino}benzoate")
| SpectraBase Compound ID | 9Qn9VHOMiqZ |
|---|---|
| InChI | InChI=1S/C12H16N2O2S/c1-3-13-12(17)14-10-7-5-9(6-8-10)11(15)16-4-2/h5-8H,3-4H2,1-2H3,(H2,13,14,17) |
| InChIKey | WIGNKAZCTOXTLY-UHFFFAOYSA-N |
| Mol Weight | 252.33 g/mol |
| Molecular Formula | C12H16N2O2S |
| Exact Mass | 252.093249 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CfN0dkK0Doo |
|---|---|
| Name | Ethyl 4-{[(ethylamino)carbothioyl]amino}benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.093248935 u |
| Formula | C12H16N2O2S |
| InChI | InChI=1S/C12H16N2O2S/c1-3-13-12(17)14-10-7-5-9(6-8-10)11(15)16-4-2/h5-8H,3-4H2,1-2H3,(H2,13,14,17) |
| InChIKey | WIGNKAZCTOXTLY-UHFFFAOYSA-N |
| Molecular Weight | 252.332 g/mol |
| SMILES | C(=S)(NCC)NC1=CC=C(C=C1)C(=O)OCC |