| SpectraBase Compound ID | IUcsGUxWnkw |
|---|---|
| InChI | InChI=1S/C17H11F3N2O3/c18-17(19,20)14(24)22-13(23)16(21-15(22)25,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H,21,25) |
| InChIKey | RVHBCQFDGYGGMH-UHFFFAOYSA-N |
| Mol Weight | 348.28 g/mol |
| Molecular Formula | C17H11F3N2O3 |
| Exact Mass | 348.072177 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9kJcA0hUIGI |
|---|---|
| Name | 5,5-Diphenylhydantoin, 3-trifluoroacetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 348.072176708 u |
| Formula | C17H11F3N2O3 |
| InChI | InChI=1S/C17H11F3N2O3/c18-17(19,20)14(24)22-13(23)16(21-15(22)25,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H,21,25) |
| InChIKey | RVHBCQFDGYGGMH-UHFFFAOYSA-N |
| Molecular Weight | 348.281 g/mol |
| SMILES | C1(=O)C(NC(N1C(C(F)(F)F)=O)=O)(C1=CC=CC=C1)C1=CC=CC=C1 |