| SpectraBase Compound ID | ENN1ExcNKCS |
|---|---|
| InChI | InChI=1S/C19H17OPS/c1-16-12-14-17(15-13-16)20-21(22,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15H,1H3 |
| InChIKey | GQIYCAQSFFVDGY-UHFFFAOYSA-N |
| Mol Weight | 324.38 g/mol |
| Molecular Formula | C19H17OPS |
| Exact Mass | 324.073773 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JbowkjWCyTx |
|---|---|
| Name | Phosphinothioic acid, diphenyl-, o-(4-methylphenyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.073773338 u |
| Formula | C19H17OPS |
| InChI | InChI=1S/C19H17OPS/c1-16-12-14-17(15-13-16)20-21(22,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15H,1H3 |
| InChIKey | GQIYCAQSFFVDGY-UHFFFAOYSA-N |
| Molecular Weight | 324.378 g/mol |
| SMILES | C1=CC=C(P(C=2C=CC=CC2)(=S)OC2=CC=C(C=C2)C)C=C1 |