| SpectraBase Compound ID | 3XWiV4Y8ETE |
|---|---|
| InChI | InChI=1S/C21H21OP/c1-16-14-17(2)21(18(3)15-16)23(22,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-15H,1-3H3 |
| InChIKey | XZJXZRPNLUAZEC-UHFFFAOYSA-N |
| Mol Weight | 320.37 g/mol |
| Molecular Formula | C21H21OP |
| Exact Mass | 320.133002 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4HaWS4Dv1B8 |
|---|---|
| Name | 2-Diphenylphosphoryl-1,3,5-trimethyl-benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.133002293 u |
| Formula | C21H21OP |
| InChI | InChI=1S/C21H21OP/c1-16-14-17(2)21(18(3)15-16)23(22,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-15H,1-3H3 |
| InChIKey | XZJXZRPNLUAZEC-UHFFFAOYSA-N |
| Molecular Weight | 320.372 g/mol |
| SMILES | C=1(P(=O)(C=2C=CC=CC2)C=2C=CC=CC2)C(=CC(=CC1C)C)C |