| SpectraBase Compound ID | I8RdYqq9Xm1 |
|---|---|
| InChI | InChI=1S/C21H21O3PS/c26-25(22-16-19-10-4-1-5-11-19,23-17-20-12-6-2-7-13-20)24-18-21-14-8-3-9-15-21/h1-15H,16-18H2 |
| InChIKey | HVNCOMPGIGIHBG-UHFFFAOYSA-N |
| Mol Weight | 384.43 g/mol |
| Molecular Formula | C21H21O3PS |
| Exact Mass | 384.094903 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CzDLZTOQWe2 |
|---|---|
| Name | o,o,o-Tribenzyl-phosphorothioate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 384.094902705 u |
| Formula | C21H21O3PS |
| InChI | InChI=1S/C21H21O3PS/c26-25(22-16-19-10-4-1-5-11-19,23-17-20-12-6-2-7-13-20)24-18-21-14-8-3-9-15-21/h1-15H,16-18H2 |
| InChIKey | HVNCOMPGIGIHBG-UHFFFAOYSA-N |
| Molecular Weight | 384.430 g/mol |
| SMILES | C(OP(=S)(OCC=1C=CC=CC1)OCC1=CC=CC=C1)C=1C=CC=CC1 |