| SpectraBase Compound ID | KwQ09lYhHIj |
|---|---|
| InChI | InChI=1S/C11H14N2O5S/c1-8-2-4-9(5-3-8)19(17,18)13-6-10(14)12-7-11(15)16/h2-5,13H,6-7H2,1H3,(H,12,14)(H,15,16) |
| InChIKey | LESILPKULCPDIL-UHFFFAOYSA-N |
| Mol Weight | 286.3 g/mol |
| Molecular Formula | C11H14N2O5S |
| Exact Mass | 286.062343 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1WOiEDxnYfk |
|---|---|
| Name | N-Tosyl-glycylglycine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.062342728 u |
| Formula | C11H14N2O5S |
| InChI | InChI=1S/C11H14N2O5S/c1-8-2-4-9(5-3-8)19(17,18)13-6-10(14)12-7-11(15)16/h2-5,13H,6-7H2,1H3,(H,12,14)(H,15,16) |
| InChIKey | LESILPKULCPDIL-UHFFFAOYSA-N |
| SMILES | C(NS(C1=CC=C(C=C1)C)(=O)=O)C(NCC(=O)O)=O |