| SpectraBase Compound ID | 53KmgIVz2W5 |
|---|---|
| InChI | InChI=1S/C10H19O5PS/c1-8-4-5-12-16(17,15-8)13-7-9-6-11-10(2,3)14-9/h8-9H,4-7H2,1-3H3 |
| InChIKey | RVCCUAXXDGCLRS-UHFFFAOYSA-N |
| Mol Weight | 282.29 g/mol |
| Molecular Formula | C10H19O5PS |
| Exact Mass | 282.069082 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4xYfwsMtHpn |
|---|---|
| Name | 1,3-Butylene(D,L-2,3-isopropylidenedioxy-1-propoxy)thionophosphate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.069081879 u |
| Formula | C10H19O5PS |
| InChI | InChI=1S/C10H19O5PS/c1-8-4-5-12-16(17,15-8)13-7-9-6-11-10(2,3)14-9/h8-9H,4-7H2,1-3H3 |
| InChIKey | RVCCUAXXDGCLRS-UHFFFAOYSA-N |
| Molecular Weight | 282.291 g/mol |
| SMILES | C(C1COC(O1)(C)C)OP1(OC(CCO1)C)=S |