| SpectraBase Compound ID | DYK38ix7pv7 |
|---|---|
| InChI | InChI=1S/C12H17O3PS/c1-10-9-12(2,3)15-16(17,13-10)14-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3 |
| InChIKey | FDATUDJFWDCIJN-UHFFFAOYSA-N |
| Mol Weight | 272.3 g/mol |
| Molecular Formula | C12H17O3PS |
| Exact Mass | 272.063603 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FZQQI3NCDNc |
|---|---|
| Name | 1,3,2-Dioxaphosphorinane, 4,4,6-trimethyl-2-phenoxy-, 2-sulfide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.063602576 u |
| Formula | C12H17O3PS |
| InChI | InChI=1S/C12H17O3PS/c1-10-9-12(2,3)15-16(17,13-10)14-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3 |
| InChIKey | FDATUDJFWDCIJN-UHFFFAOYSA-N |
| Molecular Weight | 272.299 g/mol |
| SMILES | C1C(OP(OC1(C)C)(OC1=CC=CC=C1)=S)C |