| SpectraBase Compound ID | 5okEMiLldhZ |
|---|---|
| InChI | InChI=1S/C8H19O3PS/c1-7(2)10-12(9,6-13-5)11-8(3)4/h7-8H,6H2,1-5H3 |
| InChIKey | KBJGJWBBDSZBKX-UHFFFAOYSA-N |
| Mol Weight | 226.27 g/mol |
| Molecular Formula | C8H19O3PS |
| Exact Mass | 226.079253 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BdPnLDbybLd |
|---|---|
| Name | Diisopropyl (methylthiomethyl)phosphonate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.079252641 u |
| Formula | C8H19O3PS |
| InChI | InChI=1S/C8H19O3PS/c1-7(2)10-12(9,6-13-5)11-8(3)4/h7-8H,6H2,1-5H3 |
| InChIKey | KBJGJWBBDSZBKX-UHFFFAOYSA-N |
| Molecular Weight | 226.271 g/mol |
| SMILES | C(OP(=O)(OC(C)C)CSC)(C)C |