![Ethyl 3-[benzoylamino]propane-1-(dithio)-oate](/api/spectrum/5sr7EDMc9v6/structure.png?h=300&w=458 "Ethyl 3-[benzoylamino]propane-1-(dithio)-oate")
| SpectraBase Compound ID | azbrvDv50z |
|---|---|
| InChI | InChI=1S/C12H15NOS2/c1-2-16-11(15)8-9-13-12(14)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,13,14) |
| InChIKey | ATVAVYFEKLDPNY-UHFFFAOYSA-N |
| Mol Weight | 253.38 g/mol |
| Molecular Formula | C12H15NOS2 |
| Exact Mass | 253.059506 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5sr7EDMc9v6 |
|---|---|
| Name | Ethyl 3-[benzoylamino]propane-1-(dithio)-oate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 253.059506454 u |
| Formula | C12H15NOS2 |
| InChI | InChI=1S/C12H15NOS2/c1-2-16-11(15)8-9-13-12(14)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,13,14) |
| InChIKey | ATVAVYFEKLDPNY-UHFFFAOYSA-N |
| Molecular Weight | 253.378 g/mol |
| SMILES | C(=O)(C1=CC=CC=C1)NCCC(=S)SCC |