| SpectraBase Compound ID | 4uNryaI3by8 |
|---|---|
| InChI | InChI=1S/C13H11N.C2H7O2PS2/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13;1-3-5(6,7)4-2/h1-11H;1-2H3,(H,6,7)/b14-11+; |
| InChIKey | HQOUVEUOTMRHTC-JHGYPSGKSA-N |
| Mol Weight | 339.41 g/mol |
| Molecular Formula | C15H18NO2PS2 |
| Exact Mass | 339.051658 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | Ko0nVs9O3ju |
|---|---|
| Name | Benzylideneanilinium o,o-dimethyldithiophosphate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 339.051658168 u |
| Formula | C15H18NO2PS2 |
| InChI | InChI=1S/C13H11N.C2H7O2PS2/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13;1-3-5(6,7)4-2/h1-11H;1-2H3,(H,6,7)/b14-11+; |
| InChIKey | HQOUVEUOTMRHTC-JHGYPSGKSA-N |
| Molecular Weight | 339.408 g/mol |
| SMILES | COP(=S)([S-])OC.c1(ccccc1)C=[NH+]c1ccccc1 |