| SpectraBase Compound ID | 8iuxddqw8ls |
|---|---|
| InChI | InChI=1S/C17H48O7P2Si5/c1-17(20-27(2,3)4,25(18,21-28(5,6)7)22-29(8,9)10)26(19,23-30(11,12)13)24-31(14,15)16/h1-16H3 |
| InChIKey | RBOLGDDKQBTVMF-UHFFFAOYSA-N |
| Mol Weight | 566.9 g/mol |
| Molecular Formula | C17H48O7P2Si5 |
| Exact Mass | 566.172161 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 95b7X7S5Ts9 |
|---|---|
| Name | Etidronin acid-5tms |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 566.172160550 u |
| Formula | C17H48O7P2Si5 |
| InChI | InChI=1S/C17H48O7P2Si5/c1-17(20-27(2,3)4,25(18,21-28(5,6)7)22-29(8,9)10)26(19,23-30(11,12)13)24-31(14,15)16/h1-16H3 |
| InChIKey | RBOLGDDKQBTVMF-UHFFFAOYSA-N |
| Molecular Weight | 566.937 g/mol |
| SMILES | C[Si](OP(C(O[Si](C)(C)C)(P(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C)(=O)O[Si](C)(C)C)(C)C |