| SpectraBase Compound ID | 7FxtLlZSMGc |
|---|---|
| InChI | InChI=1S/C18H15O6P/c1-4-10-16(11-5-1)19-25(23-22-24-25,20-17-12-6-2-7-13-17)21-18-14-8-3-9-15-18/h1-15H |
| InChIKey | BVCCTQHXJQXLKM-UHFFFAOYSA-N |
| Mol Weight | 358.29 g/mol |
| Molecular Formula | C18H15O6P |
| Exact Mass | 358.060625 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ctu6wCsd8wO |
|---|---|
| Name | Trioxophosphetane-#1B |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 358.060625195 u |
| Formula | C18H15O6P |
| InChI | InChI=1S/C18H15O6P/c1-4-10-16(11-5-1)19-25(23-22-24-25,20-17-12-6-2-7-13-17)21-18-14-8-3-9-15-18/h1-15H |
| InChIKey | BVCCTQHXJQXLKM-UHFFFAOYSA-N |
| Molecular Weight | 358.286 g/mol |
| SMILES | C=1(OP2(OC3=CC=CC=C3)(OC3=CC=CC=C3)OOO2)C=CC=CC1 |