![Ethyl 4-({[(2-hydroxyethyl)amino]carbothioyl}amino)benzoate](/api/spectrum/1hAwo7KyAtu/structure.png?h=300&w=458 "Ethyl 4-({[(2-hydroxyethyl)amino]carbothioyl}amino)benzoate")
| SpectraBase Compound ID | 3PKroiV3rIX |
|---|---|
| InChI | InChI=1S/C12H16N2O3S/c1-2-17-11(16)9-3-5-10(6-4-9)14-12(18)13-7-8-15/h3-6,15H,2,7-8H2,1H3,(H2,13,14,18) |
| InChIKey | QTRBABHXJWRRSX-UHFFFAOYSA-N |
| Mol Weight | 268.33 g/mol |
| Molecular Formula | C12H16N2O3S |
| Exact Mass | 268.088164 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1hAwo7KyAtu |
|---|---|
| Name | Ethyl 4-({[(2-hydroxyethyl)amino]carbothioyl}amino)benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.088163554 u |
| Formula | C12H16N2O3S |
| InChI | InChI=1S/C12H16N2O3S/c1-2-17-11(16)9-3-5-10(6-4-9)14-12(18)13-7-8-15/h3-6,15H,2,7-8H2,1H3,(H2,13,14,18) |
| InChIKey | QTRBABHXJWRRSX-UHFFFAOYSA-N |
| Molecular Weight | 268.331 g/mol |
| SMILES | N(C(=S)NCCO)C=1C=CC(C(=O)OCC)=CC1 |