| SpectraBase Compound ID | 8cvJ1XcvzzT |
|---|---|
| InChI | InChI=1S/C13H17NO2S2/c1-3-18-12(17)10(2)14-13(15)16-9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,14,15) |
| InChIKey | ONYHAPYQFOLFKS-UHFFFAOYSA-N |
| Mol Weight | 283.4 g/mol |
| Molecular Formula | C13H17NO2S2 |
| Exact Mass | 283.070071 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JMet8YSzSQD |
|---|---|
| Name | Ethyl N-(benzyloxycarbonyl)-dl-dithioalanine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 283.070071137 u |
| Formula | C13H17NO2S2 |
| InChI | InChI=1S/C13H17NO2S2/c1-3-18-12(17)10(2)14-13(15)16-9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,14,15) |
| InChIKey | ONYHAPYQFOLFKS-UHFFFAOYSA-N |
| SMILES | C(NC(C(=S)SCC)C)(=O)OCC1=CC=CC=C1 |