| SpectraBase Compound ID | Aa3aLlNnvbU |
|---|---|
| InChI | InChI=1S/C7H17O2PS2/c1-6(2)8-10(11,12-5)9-7(3)4/h6-7H,1-5H3 |
| InChIKey | BOFFDLYFMYEGPZ-UHFFFAOYSA-N |
| Mol Weight | 228.3 g/mol |
| Molecular Formula | C7H17O2PS2 |
| Exact Mass | 228.040759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | fTT0cpyuKK |
|---|---|
| Name | o,o-Disopropyl-S-methyl phosphorodithioate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.040759131 u |
| Formula | C7H17O2PS2 |
| InChI | InChI=1S/C7H17O2PS2/c1-6(2)8-10(11,12-5)9-7(3)4/h6-7H,1-5H3 |
| InChIKey | BOFFDLYFMYEGPZ-UHFFFAOYSA-N |
| Molecular Weight | 228.305 g/mol |
| SMILES | C(OP(=S)(OC(C)C)SC)(C)C |