| SpectraBase Compound ID | 3wTvEnZAiP2 |
|---|---|
| InChI | InChI=1S/C15H21N3O6S/c1-3-24-14(20)9-16-13(19)8-17-15(21)18-10-25(22,23)12-6-4-11(2)5-7-12/h4-7H,3,8-10H2,1-2H3,(H,16,19)(H2,17,18,21) |
| InChIKey | ZJFJSNJNWPXHSE-UHFFFAOYSA-N |
| Mol Weight | 371.41 g/mol |
| Molecular Formula | C15H21N3O6S |
| Exact Mass | 371.115107 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LIMWA04dLaK |
|---|---|
| Name | Ethyl-N-tosyl-glycylglycylglycine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 371.115106576 u |
| Formula | C15H21N3O6S |
| InChI | InChI=1S/C15H21N3O6S/c1-3-24-14(20)9-16-13(19)8-17-15(21)18-10-25(22,23)12-6-4-11(2)5-7-12/h4-7H,3,8-10H2,1-2H3,(H,16,19)(H2,17,18,21) |
| InChIKey | ZJFJSNJNWPXHSE-UHFFFAOYSA-N |
| Molecular Weight | 371.408 g/mol |
| SMILES | C(S(C1=CC=C(C=C1)C)(=O)=O)NC(NCC(NCC(=O)OCC)=O)=O |