![mso(CH2)3ch[p(o)(oet)2]2](/api/spectrum/LgrHsCRFCS1/structure.png?h=300&w=458 "mso(CH2)3ch[p(o)(oet)2]2")
| SpectraBase Compound ID | 1E4Oc44AAUw |
|---|---|
| InChI | InChI=1S/C13H30O9P2S/c1-6-18-23(14,19-7-2)13(11-10-12-22-25(5,16)17)24(15,20-8-3)21-9-4/h13H,6-12H2,1-5H3 |
| InChIKey | AHBNGUHJNTZQPF-UHFFFAOYSA-N |
| Mol Weight | 424.38 g/mol |
| Molecular Formula | C13H30O9P2S |
| Exact Mass | 424.108578 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LgrHsCRFCS1 |
|---|---|
| Name | mso(CH2)3ch[p(o)(oet)2]2 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 424.108577707 u |
| Formula | C13H30O9P2S |
| InChI | InChI=1S/C13H30O9P2S/c1-6-18-23(14,19-7-2)13(11-10-12-22-25(5,16)17)24(15,20-8-3)21-9-4/h13H,6-12H2,1-5H3 |
| InChIKey | AHBNGUHJNTZQPF-UHFFFAOYSA-N |
| Molecular Weight | 424.382 g/mol |
| SMILES | C(OS(=O)(=O)C)CCC(P(=O)(OCC)OCC)P(=O)(OCC)OCC |