![N-[p-Methoxybenzyl]-N'-[2-thiosulfatoethyl]-1,2-ethanediamine](/api/spectrum/1CjMrveCv4B/structure.png?h=300&w=458 "N-[p-Methoxybenzyl]-N'-[2-thiosulfatoethyl]-1,2-ethanediamine")
| SpectraBase Compound ID | 5iTNMj4ckV4 |
|---|---|
| InChI | InChI=1S/C12H20N2O4S2/c1-18-12-4-2-11(3-5-12)10-14-7-6-13-8-9-19-20(15,16)17/h2-5,13-14H,6-10H2,1H3,(H,15,16,17) |
| InChIKey | PCEKKKSAWNMVMA-UHFFFAOYSA-N |
| Mol Weight | 320.42 g/mol |
| Molecular Formula | C12H20N2O4S2 |
| Exact Mass | 320.086449 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1CjMrveCv4B |
|---|---|
| Name | N-[p-Methoxybenzyl]-N'-[2-thiosulfatoethyl]-1,2-ethanediamine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.086449476 u |
| Formula | C12H20N2O4S2 |
| InChI | InChI=1S/C12H20N2O4S2/c1-18-12-4-2-11(3-5-12)10-14-7-6-13-8-9-19-20(15,16)17/h2-5,13-14H,6-10H2,1H3,(H,15,16,17) |
| InChIKey | PCEKKKSAWNMVMA-UHFFFAOYSA-N |
| Molecular Weight | 320.422 g/mol |
| SMILES | C1(=CC=C(C=C1)OC)CNCCNCCSS(O)(=O)=O |