![S-[R,S]-sec.-Butyl-o,o-diethyl-phosphorothiolate](/api/spectrum/G7kCto8b8P6/structure.png?h=300&w=458 "S-[R,S]-sec.-Butyl-o,o-diethyl-phosphorothiolate")
| SpectraBase Compound ID | 9lWefpQmLlA |
|---|---|
| InChI | InChI=1S/C8H19O3PS/c1-5-8(4)13-12(9,10-6-2)11-7-3/h8H,5-7H2,1-4H3 |
| InChIKey | VYYJPCUQNPOOIC-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 | G7kCto8b8P6 |
|---|---|
| Name | S-[R,S]-sec.-Butyl-o,o-diethyl-phosphorothiolate |
| 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/c1-5-8(4)13-12(9,10-6-2)11-7-3/h8H,5-7H2,1-4H3 |
| InChIKey | VYYJPCUQNPOOIC-UHFFFAOYSA-N |
| Molecular Weight | 226.271 g/mol |
| SMILES | C(SP(=O)(OCC)OCC)(CC)C |