![S-[2-Methyl-2-[3-phthalimidopropylamino]ethyl hydrogen thiosulfate](/api/spectrum/KSrl6cMnEuN/structure.png?h=300&w=458 "S-[2-Methyl-2-[3-phthalimidopropylamino]ethyl hydrogen thiosulfate")
| SpectraBase Compound ID | MoorMASdLO |
|---|---|
| InChI | InChI=1S/C14H18N2O5S2/c1-10(9-22-23(19,20)21)15-7-4-8-16-13(17)11-5-2-3-6-12(11)14(16)18/h2-3,5-6,10,15H,4,7-9H2,1H3,(H,19,20,21) |
| InChIKey | ZTWCXEDMHHXMQW-UHFFFAOYSA-N |
| Mol Weight | 358.43 g/mol |
| Molecular Formula | C14H18N2O5S2 |
| Exact Mass | 358.065714 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KSrl6cMnEuN |
|---|---|
| Name | S-[2-Methyl-2-[3-phthalimidopropylamino]ethyl hydrogen thiosulfate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 358.065714031 u |
| Formula | C14H18N2O5S2 |
| InChI | InChI=1S/C14H18N2O5S2/c1-10(9-22-23(19,20)21)15-7-4-8-16-13(17)11-5-2-3-6-12(11)14(16)18/h2-3,5-6,10,15H,4,7-9H2,1H3,(H,19,20,21) |
| InChIKey | ZTWCXEDMHHXMQW-UHFFFAOYSA-N |
| Molecular Weight | 358.427 g/mol |
| SMILES | C(SS(O)(=O)=O)C(NCCCN1C(=O)C2=C(C1=O)C=CC=C2)C |