| SpectraBase Compound ID | IFySC8PmrZY |
|---|---|
| InChI | InChI=1S/C18H18N2O2S/c1-23-13-12-16-17(21)19(14-8-4-2-5-9-14)20(18(16)22)15-10-6-3-7-11-15/h2-11,16H,12-13H2,1H3 |
| InChIKey | KRIKNPNYONBUKG-UHFFFAOYSA-N |
| Mol Weight | 326.41 g/mol |
| Molecular Formula | C18H18N2O2S |
| Exact Mass | 326.108899 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HY0RdWwpmjP |
|---|---|
| Name | Pyrazolidine-3,5-dione, 1,2-diphenyl-4-methylthioethyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.108899000 u |
| Formula | C18H18N2O2S |
| InChI | InChI=1S/C18H18N2O2S/c1-23-13-12-16-17(21)19(14-8-4-2-5-9-14)20(18(16)22)15-10-6-3-7-11-15/h2-11,16H,12-13H2,1H3 |
| InChIKey | KRIKNPNYONBUKG-UHFFFAOYSA-N |
| Molecular Weight | 326.414 g/mol |
| SMILES | C1(C(N(C2=CC=CC=C2)N(C1=O)C1=CC=CC=C1)=O)CCSC |