| SpectraBase Compound ID | 5I21K9roBP1 |
|---|---|
| InChI | InChI=1S/C18H19O3P/c1-16(19)21-14-8-9-15-22(20,17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-13H,14-15H2,1H3/b9-8+ |
| InChIKey | VTSIPGGHHZHHPT-CMDGGOBGSA-N |
| Mol Weight | 314.32 g/mol |
| Molecular Formula | C18H19O3P |
| Exact Mass | 314.107181 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GRxHg083Tbj |
|---|---|
| Name | (E)-4-Diphenylphosphinoylbut-2-en-1-yl acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.107181467 u |
| Formula | C18H19O3P |
| InChI | InChI=1S/C18H19O3P/c1-16(19)21-14-8-9-15-22(20,17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-13H,14-15H2,1H3/b9-8+ |
| InChIKey | VTSIPGGHHZHHPT-CMDGGOBGSA-N |
| Molecular Weight | 314.321 g/mol |
| SMILES | C1(P(=O)(C=2C=CC=CC2)C\C=C\COC(=O)C)=CC=CC=C1 |