![Ethyl 3-[(phenacetyl)amino]propane-1-(dithio)-oate](/api/spectrum/8vTflQjm5Km/structure.png?h=300&w=458 "Ethyl 3-[(phenacetyl)amino]propane-1-(dithio)-oate")
| SpectraBase Compound ID | 8RKRO3G2YAQ |
|---|---|
| InChI | InChI=1S/C13H17NOS2/c1-2-17-13(16)8-9-14-12(15)10-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,14,15) |
| InChIKey | ROLAXIVMTBAWRS-UHFFFAOYSA-N |
| Mol Weight | 267.4 g/mol |
| Molecular Formula | C13H17NOS2 |
| Exact Mass | 267.075157 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8vTflQjm5Km |
|---|---|
| Name | Ethyl 3-[(phenacetyl)amino]propane-1-(dithio)-oate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 267.075156518 u |
| Formula | C13H17NOS2 |
| InChI | InChI=1S/C13H17NOS2/c1-2-17-13(16)8-9-14-12(15)10-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,14,15) |
| InChIKey | ROLAXIVMTBAWRS-UHFFFAOYSA-N |
| SMILES | C(=S)(CCNC(=O)CC1=CC=CC=C1)SCC |