| SpectraBase Compound ID | 58uPSzJzdSn |
|---|---|
| InChI | InChI=1S/C13H15F3N2OS/c1-12(2,3)10(19)18-11(20)17-9-6-4-5-8(7-9)13(14,15)16/h4-7H,1-3H3,(H2,17,18,19,20) |
| InChIKey | OKZXZCBIZAMFCW-UHFFFAOYSA-N |
| Mol Weight | 304.33 g/mol |
| Molecular Formula | C13H15F3N2OS |
| Exact Mass | 304.085719 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AjVoqW5FIGq |
|---|---|
| Name | 1-Pivaloyl-2-thio-3-(alpha,alpha,alpha-trifluoro-m-tolyl)urea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.085718773 u |
| Formula | C13H15F3N2OS |
| InChI | InChI=1S/C13H15F3N2OS/c1-12(2,3)10(19)18-11(20)17-9-6-4-5-8(7-9)13(14,15)16/h4-7H,1-3H3,(H2,17,18,19,20) |
| InChIKey | OKZXZCBIZAMFCW-UHFFFAOYSA-N |
| Molecular Weight | 304.331 g/mol |
| SMILES | N(C1=CC=CC(=C1)C(F)(F)F)C(NC(C(C)(C)C)=O)=S |